3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-ol

1,1,2,2-Tetrahydroperfluorooctan-1-ol
1,1,2,2-Tetrahydroperfluorooctanol
1,1,2,2-Tetrahydrotridecafluorooctanol
1-Octanol, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-
1H,1H,2H,2H-Perfluoro-1-octanol
1H,1H,2H,2H-Perfluorooctan-1-ol
1H,1H,2H,2H-Perfluorooctanol
1H,1H,2H,2H-Tetrahydroperfluoro-1-octanol
1H,1H,2H,2H-Tridecafluoro-1-octanol
1H,1H,2H,2H-Tridecafluoro-n-octanol
1H,1H,2H,2H-Tridecafluorooctanol
2-(Perfluorohexyl)ethanol
2-(Perfluorohexyl)ethyl alcohol
2-(Tridecafluorohexyl)ethanol
3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanol
3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctanol
6:2 Fluorotelomer alcohol
6:2 FTOH
Capstone 62AL
Capstone AL 62
Cheminox FA 6
Fluowet EA 600
Foralkyl EOH 6
H 829808
Perfluorohexylethanol

Property	Value
InChI2D key string chemrof:inchi2d_key_string	GRJRKPMIRMSBNK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C8H5F13O/c9-3(10,1-2-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h22H,1-2H2
IUPAC name chemrof:IUPAC_name	3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-ol
Molecular formula chemrof:molecular_formula	C8H5F13O
Molecular mass chemrof:molecular_mass	364.101
Monoisotopic mass chemrof:monoisotopic_mass	364.013282
SMILES string chemrof:smiles_string	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=647-42-7	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.010.435	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID5044572	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3181857	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/G2R5YO5N3V	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0260260	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J205.927D	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/69537	enrich_references.pubchem_compound
rxnav.nlm.nih.gov	https://rxnav.nlm.nih.gov/id/rxnorm/1986349	enrich_references.pubchem_identifier_url
wikidata.org	https://www.wikidata.org/wiki/Q27278658	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
a8df08e1-3d1b-4417-a361-ef9c60a2e14a	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
9a1f039d-a8c4-440a-b687-1de7c30989f5	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
ba070474-b636-4189-b026-4757774a9ea6	Environmental → Air → Indoor	EF 3.1	kg	4
039a2086-0e5f-42da-ac5b-54e22daab854	Environmental → Air → Long-term	EF 3.1	kg	0
103f233e-daef-483a-ad07-99b98581615a	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
b1eff598-d257-4233-96a6-f501a0f61a6f	Environmental → Air → Unknown	EF 3.1	kg	4
5720127f-c094-4a7f-9847-f6f86c374fbc	Environmental → Ground → Agricultural	EF 3.1	kg	4
0eeef8cd-7307-471d-97bc-10fdc1338f70	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
7a29fffc-374e-40e2-bde0-899a62486743	Environmental → Ground → Unknown	EF 3.1	kg	4
18a6223f-2558-4b04-a183-f7a81c5874f7	Environmental → Water → Long-term	EF 3.1	kg	0
82f4eedb-66f6-4f02-b385-cf8c7fe0b026	Environmental → Water → Ocean	EF 3.1	kg	4
a2d02434-356a-422c-83ac-a8a2ebf155dd	Environmental → Water → Surface water	EF 3.1	kg	4
e78ddcd2-2263-412c-93f1-7d93fd99f301	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-f9f6165e6330f73b",
  "prefLabel": [
    {
      "@value": "3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-ol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,1,2,2-Tetrahydroperfluorooctan-1-ol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:647-42-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=647-42-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,1,2,2-Tetrahydroperfluorooctanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:647-42-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=647-42-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,1,2,2-Tetrahydrotridecafluorooctanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:647-42-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=647-42-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Octanol, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:647-42-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=647-42-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1H,1H,2H,2H-Perfluoro-1-octanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:647-42-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=647-42-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1H,1H,2H,2H-Perfluorooctan-1-ol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:647-42-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=647-42-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1H,1H,2H,2H-Perfluorooctanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:647-42-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=647-42-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1H,1H,2H,2H-Tetrahydroperfluoro-1-octanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:647-42-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=647-42-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1H,1H,2H,2H-Tridecafluoro-1-octanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:647-42-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=647-42-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1H,1H,2H,2H-Tridecafluoro-n-octanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:647-42-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=647-42-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1H,1H,2H,2H-Tridecafluorooctanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:647-42-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=647-42-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-(Perfluorohexyl)ethanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:647-42-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=647-42-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-(Perfluorohexyl)ethyl alcohol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:647-42-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=647-42-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-(Tridecafluorohexyl)ethanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:647-42-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=647-42-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:647-42-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=647-42-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:647-42-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=647-42-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "6:2 Fluorotelomer alcohol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:647-42-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=647-42-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "6:2 FTOH",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:647-42-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=647-42-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Capstone 62AL",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:647-42-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=647-42-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Capstone AL 62",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:647-42-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=647-42-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cheminox FA 6",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:647-42-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=647-42-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Fluowet EA 600",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:647-42-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=647-42-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Foralkyl EOH 6",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:647-42-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=647-42-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "H 829808",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:647-42-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=647-42-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Perfluorohexylethanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:647-42-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=647-42-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C8H5F13O"
      ],
      "attested_by": {
        "C8H5F13O": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:69537"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "GRJRKPMIRMSBNK-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "GRJRKPMIRMSBNK-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:69537"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-ol"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"
          ]
        }
      ],
      "attested_by": {
        "OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C8H5F13O/c9-3(10,1-2-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h22H,1-2H2"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-ol"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C8H5F13O/c9-3(10,1-2-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h22H,1-2H2": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-ol"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-ol"
        ]
      },
      "attested_by": {
        "3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-ol": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        364.101
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(CO)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"
          ]
        }
      ],
      "attested_by": {
        "364.101": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        364.013282
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(CO)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"
          ]
        }
      ],
      "attested_by": {
        "364.013282": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J205.927D",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:69537;CAS:647-42-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[647-42-7]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.010.435",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:69537;CAS:647-42-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[647-42-7]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=647-42-7",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "647-42-7"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID5044572",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:69537;CAS:647-42-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[647-42-7]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/G2R5YO5N3V",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:69537;CAS:647-42-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[647-42-7]"
      }
    },
    {
      "@id": "https://hmdb.ca/metabolites/HMDB0260260",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:69537;CAS:647-42-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[647-42-7]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/69537",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:69537;CAS:647-42-7"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[647-42-7]"
      }
    },
    {
      "@id": "https://rxnav.nlm.nih.gov/id/rxnorm/1986349",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:69537;CAS:647-42-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[647-42-7]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3181857",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:69537;CAS:647-42-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[647-42-7]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27278658",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:69537;CAS:647-42-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[647-42-7]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "039a2086-0e5f-42da-ac5b-54e22daab854",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "647-42-7"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=647-42-7"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=647-42-7"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "211-477-1"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=211-477-1"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-ol

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Keyboard