Consensus flow list

Identity

Type
Neutral molecule
CAS
134769-21-4
EC
Origin
EF 3.1 hybrid_name_cas_v1
Changes
44 across every transformer

Structure

Structure diagram for HFE-329mcc2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string QEROCSITFAXLCG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4HF9O/c5-1(6)2(7,8)14-4(12,13)3(9,10)11/h1H
IUPAC name chemrof:IUPAC_name 1,1,1,2,2-pentafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethane, 1,1,1,2,2-pentakis(fluoranyl)-2-[1,1,2,2-tetrakis(fluoranyl)ethoxy]ethane
Molecular formula chemrof:molecular_formula C4HF9O
Molecular mass chemrof:molecular_mass 236.033
Monoisotopic mass chemrof:monoisotopic_mass 235.988369
SMILES string chemrof:smiles_string C(C(OC(C(F)(F)F)(F)F)(F)F)(F)F

Known URLs

4

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=134769-21-4 enrich_references.consensus_cas_link
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID201026910 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J969.533H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/18520912 enrich_references.pubchem_compound

Elementary flows

11
Flow Context Source Unit CFs
eb874a4b-6f57-401e-845e-243d9ad29649 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
88ec47e0-699e-4e36-9c72-d073100307f0 Environmental → Air → Long-term EF 3.1 kg 2
10d58ae6-9607-43e8-8e7c-83bcf954c3e2 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
0d196507-eb5a-46be-9d4c-17d5899ed40e Environmental → Air → Unknown EF 3.1 kg 2
751469ad-33cc-421d-8656-fbe040d32847 Environmental → Ground → Agricultural EF 3.1 kg 0
3aaa8730-4fde-4cc4-88bc-7abb2038b3d4 Environmental → Ground → Non-agricultural EF 3.1 kg 0
d7b61e45-721a-497e-8bad-c62602a8d834 Environmental → Ground → Unknown EF 3.1 kg 0
7f4d3c64-662c-45e7-94a8-86424e68c82e Environmental → Water → Long-term EF 3.1 kg 0
43277458-069c-4595-90ac-9da55bfd4a69 Environmental → Water → Ocean EF 3.1 kg 0
bff3116e-d5f9-4a2a-a8dd-81f9bbf2e6d9 Environmental → Water → Surface water EF 3.1 kg 0
93549967-14d4-4b12-9ec0-fc5e39451d2a Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (44 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-facb87fdc20ee768",
  "prefLabel": [
    {
      "@value": "HFE-329mcc2",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C4HF9O"
      ],
      "attested_by": {
        "C4HF9O": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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          "prov:hadPrimarySource": [
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          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "QEROCSITFAXLCG-UHFFFAOYSA-N"
      ],
      "attested_by": {
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          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
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          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
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          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C(C(OC(C(F)(F)F)(F)F)(F)F)(F)F"
      ],
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        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C4HF9O/c5-1(6)2(7,8)14-4(12,13)3(9,10)11/h1H"
      ],
      "attested_by": {
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          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChI",
      "provenance": [
        {
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        },
        {
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          "prov:hadPrimarySource": [
            "C(C(OC(C(F)(F)F)(F)F)(F)F)(F)F"
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        }
      ]
    },
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      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "1,1,1,2,2-pentafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethane",
        "1,1,1,2,2-pentakis(fluoranyl)-2-[1,1,2,2-tetrakis(fluoranyl)ethoxy]ethane"
      ],
      "attested_by": {
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          "enrich_references.pubchem_semantic"
        ],
        "1,1,1,2,2-pentakis(fluoranyl)-2-[1,1,2,2-tetrakis(fluoranyl)ethoxy]ethane": [
          "enrich_references.pubchem_semantic"
        ]
      },
      "rdfs:label": "IUPAC name",
      "provenance": {
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
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      ],
      "provenance": [
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(C(OC(C(F)(F)F)(F)F)(F)F)(F)F"
          ]
        }
      ],
      "attested_by": {
        "236.033": [
          "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": [
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      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(C(OC(C(F)(F)F)(F)F)(F)F)(F)F"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(C(OC(C(F)(F)F)(F)F)(F)F)(F)F"
          ]
        }
      ],
      "attested_by": {
        "235.988369": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
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      }
    },
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      "provenance": {
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0d196507-eb5a-46be-9d4c-17d5899ed40e",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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      "reason": "",
      "types": [
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      ],
      "provenance": {
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  },
  "classifications": {
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      "@value": [
        "134769-21-4"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=134769-21-4"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
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        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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