← Back to consensus flow objects

Difluoromethyl 2,2,2-trifluoroacetate

2D structure
Flow Object IDfo-bf1f4d4f5c0f870d
TypeConsensus
prefLabel
Label Language
Difluoromethyl 2,2,2-trifluoroacetate en
Changes Applied0

Provenance

Field Value
Resolverhybrid_name_cas_v1
Seed SourceEF 3.1
Seed Flow8a315d98-e251-11e6-bf01-fe55135034f3

Properties

Predicate Value
InChIKey ZILXNWLFZFJCIF-UHFFFAOYSA-N
InChI InChI=1S/C3HF5O2/c4-2(5)10-1(9)3(6,7)8/h2H
IUPAC name Difluoromethyl 2,2,2-trifluoroacetate
Molecular formula C3HF5O2
Molecular mass 164.029
Monoisotopic mass 163.98967
SMILES O=C(OC(F)F)C(F)(F)F

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
8a316252… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 0
8a316e96… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 0 0
8a316c5c… EF 3.1 kg Environmental → Air → High stack, >150 meters 0 0
8a315d98… EF 3.1 kg Environmental → Air → Unknown 0 0

Changes Applied

No consensus changes recorded for linked elementary flows.

Flow Object JSON

{
  "flow_object_id": "fo-bf1f4d4f5c0f870d",
  "prefLabel": [
    {
      "@value": "Difluoromethyl 2,2,2-trifluoroacetate",
      "@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": [
        "Difluoromethyl 2,2,2-trifluoroacetate"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Difluoromethyl 2,2,2-trifluoroacetate"
        ]
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "O=C(OC(F)F)C(F)(F)F"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Difluoromethyl 2,2,2-trifluoroacetate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=C(OC(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/C3HF5O2/c4-2(5)10-1(9)3(6,7)8/h2H"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Difluoromethyl 2,2,2-trifluoroacetate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=C(OC(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": [
        "ZILXNWLFZFJCIF-UHFFFAOYSA-N"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "O=C(OC(F)F)C(F)(F)F"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "rdfs:label": "Molecular formula",
      "@value": [
        "C3HF5O2"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "O=C(OC(F)F)C(F)(F)F"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        "164.029"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "O=C(OC(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": [
        "163.98967"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "O=C(OC(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": "8a315d98-e251-11e6-bf01-fe55135034f3",
    "seed_source": "EF 3.1"
  },
  "classifications": {},
  "origin_qualifier": null,
  "parent_flow_object_id": null
}