Consensus flow list

Identity

Type
NeutralMolecule
CAS
EC
Origin
EF 3.1 hybrid_name_cas_v1
Changes
19 across every transformer

Structure

Structure diagram for 2,2,3,3,4,4,5,5-Octafluorocyclopentanol

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string SAPVKPVRTJLBTP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H2F8O/c6-2(7)1(14)3(8,9)5(12,13)4(2,10)11/h1,14H
IUPAC name chemrof:IUPAC_name 2,2,3,3,4,4,5,5-Octafluorocyclopentanol
Molecular formula chemrof:molecular_formula C5H2F8O
Molecular mass chemrof:molecular_mass 230.054
Monoisotopic mass chemrof:monoisotopic_mass 229.99779
SMILES string chemrof:smiles_string OC1C(F)(F)C(F)(F)C(F)(F)C1(F)F

Elementary flows

4
Flow Context Source Unit CFs
8a309ab6-e251-11e6-bf01-fe55135034f3 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
8a309714-e251-11e6-bf01-fe55135034f3 Environmental → Air → Long-term EF 3.1 kg 2
8a3098ea-e251-11e6-bf01-fe55135034f3 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
8a30952a-e251-11e6-bf01-fe55135034f3 Environmental → Air → Unknown EF 3.1 kg 2

History

Everything that changed this substance (19 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-213b3768d912c559",
  "prefLabel": [
    {
      "@value": "2,2,3,3,4,4,5,5-Octafluorocyclopentanol",
      "@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": [],
  "properties": {
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "2,2,3,3,4,4,5,5-Octafluorocyclopentanol"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "2,2,3,3,4,4,5,5-Octafluorocyclopentanol"
        ]
      },
      "attested_by": {
        "2,2,3,3,4,4,5,5-Octafluorocyclopentanol": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "OC1C(F)(F)C(F)(F)C(F)(F)C1(F)F"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2,2,3,3,4,4,5,5-Octafluorocyclopentanol"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "OC1C(F)(F)C(F)(F)C(F)(F)C1(F)F"
          ]
        }
      ],
      "attested_by": {
        "OC1C(F)(F)C(F)(F)C(F)(F)C1(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/C5H2F8O/c6-2(7)1(14)3(8,9)5(12,13)4(2,10)11/h1,14H"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2,2,3,3,4,4,5,5-Octafluorocyclopentanol"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "OC1C(F)(F)C(F)(F)C(F)(F)C1(F)F"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C5H2F8O/c6-2(7)1(14)3(8,9)5(12,13)4(2,10)11/h1,14H": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "rdfs:label": "InChIKey",
      "@value": [
        "SAPVKPVRTJLBTP-UHFFFAOYSA-N"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "OC1C(F)(F)C(F)(F)C(F)(F)C1(F)F"
        ]
      },
      "attested_by": {
        "SAPVKPVRTJLBTP-UHFFFAOYSA-N": [
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "rdfs:label": "Molecular formula",
      "@value": [
        "C5H2F8O"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "OC1C(F)(F)C(F)(F)C(F)(F)C1(F)F"
        ]
      },
      "attested_by": {
        "C5H2F8O": [
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        230.054
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "OC1C(F)(F)C(F)(F)C(F)(F)C1(F)F"
        ]
      },
      "attested_by": {
        "230.054": [
          "rdkit_post_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": [
        229.99779
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "OC1C(F)(F)C(F)(F)C(F)(F)C1(F)F"
        ]
      },
      "attested_by": {
        "229.99779": [
          "rdkit_post_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "8a30952a-e251-11e6-bf01-fe55135034f3",
    "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": {},
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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