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1,1,1,3,3,3-Hexafluoropropan-2-yl Formate

2D structure
Flow Object IDfo-e38b989b21b60cb5
TypeConsensus
prefLabel
Label Language
1,1,1,3,3,3-Hexafluoropropan-2-yl Formate en
Changes Applied0

Provenance

Field Value
Resolverhybrid_name_cas_v1
Seed SourceEF 3.1
Seed Flow7d11bfb8-e251-11e6-bf01-fe55135034f3

Properties

Predicate Value
InChIKey RWCCLESWSUCGID-UHFFFAOYSA-N
InChI InChI=1S/C4H2F6O2/c5-3(6,7)2(12-1-11)4(8,9)10/h1-2H
IUPAC name 1,1,1,3,3,3-Hexafluoropropan-2-yl Formate
Molecular formula C4H2F6O2
Molecular mass 196.046
Monoisotopic mass 195.995899
SMILES O=COC(C(F)(F)F)C(F)(F)F

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
7d11c1f2… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 2 0
7d11c56c… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 2 0
7d11c3aa… EF 3.1 kg Environmental → Air → High stack, >150 meters 2 0
7d11bfb8… EF 3.1 kg Environmental → Air → Unknown 2 0
▶

Changes Applied

No consensus changes recorded for linked elementary flows.

Flow Object JSON

{
  "flow_object_id": "fo-e38b989b21b60cb5",
  "prefLabel": [
    {
      "@value": "1,1,1,3,3,3-Hexafluoropropan-2-yl Formate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "prefLabel"
      }
    }
  ],
  "altLabel": [],
  "properties": {
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "1,1,1,3,3,3-Hexafluoropropan-2-yl Formate"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "1,1,1,3,3,3-Hexafluoropropan-2-yl Formate"
        ]
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "O=COC(C(F)(F)F)C(F)(F)F"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "1,1,1,3,3,3-Hexafluoropropan-2-yl Formate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=COC(C(F)(F)F)C(F)(F)F"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C4H2F6O2/c5-3(6,7)2(12-1-11)4(8,9)10/h1-2H"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "1,1,1,3,3,3-Hexafluoropropan-2-yl Formate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=COC(C(F)(F)F)C(F)(F)F"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "rdfs:label": "InChIKey",
      "@value": [
        "RWCCLESWSUCGID-UHFFFAOYSA-N"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "O=COC(C(F)(F)F)C(F)(F)F"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "rdfs:label": "Molecular formula",
      "@value": [
        "C4H2F6O2"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "O=COC(C(F)(F)F)C(F)(F)F"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        "196.046"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "O=COC(C(F)(F)F)C(F)(F)F"
        ]
      },
      "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": [
        "195.995899"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "O=COC(C(F)(F)F)C(F)(F)F"
        ]
      },
      "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": "7d11bfb8-e251-11e6-bf01-fe55135034f3",
    "seed_source": "EF 3.1"
  },
  "classifications": {},
  "origin_qualifier": null,
  "parent_flow_object_id": null
}