1,2,2-Trifluoroethyl trifluoromethyl ether

← Back to consensus flows

1,2,2-Trifluoroethyl trifluoromethyl ether

UUID b33305ee-ac45-49d2-a101-7a40de76a54c

Deprecated yes

Replaced By 752528e2-5e95-4401-a256-ba64a6b169f7

Flow Object ID fo-d2085d775ba0e30f

Source EF 3.1

Context Environmental → Air → Ground level → Urban (>1000 people/square mile)

CAS Numbers 84011-06-3

prefLabel

Language	Value	Provenance
`en`	`1,2,2-Trifluoroethyl trifluoromethyl ether`

altLabel

Language	Value	Provenance
`en`	`HFE-236ea2`

References

Shared Properties

Predicate	Value
InChIKey	`NYIXJXBRWHOWFJ-UHFFFAOYSA-N`
InChI	`InChI=1S/C3H2F6O/c4-1(5)2(6)10-3(7,8)9/h1-2H`
IUPAC name	`1,1,2-trifluoro-2-(trifluoromethoxy)ethane, 1,1,2-tris(fluoranyl)-2-(trifluoromethyloxy)ethane`
Molecular formula	`C3H2F6O`
Molecular mass	`168.036`
Monoisotopic mass	`168.000984`
SMILES	`C(C(F)F)(OC(F)(F)F)F, FC(F)C(F)OC(F)(F)F`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`b33305ee-ac45-49d2-a101-7a40de76a54c`	HFE-236ea2

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field	Change Count	Latest Time	Transformers	Latest Comment
`cas_match_labels`	1	`—`	consensus_match	group_key=hfe-236ea2\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'84011-06-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d2085d775ba0e30f: {'84011-06-3': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
strata	Ground level
population_density	Urban (>1000 people/square mile)

Consensus Changes

Field	Old Value	New Value	Comment
`cas_match_labels`	`None`	`{'84011-06-3': 'exactMatch'}`	group_key=hfe-236ea2\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'84011-06-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d2085d775ba0e30f: {'84011-06-3': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "b33305ee-ac45-49d2-a101-7a40de76a54c",
  "name": null,
  "cas_numbers": [
    "84011-06-3"
  ],
  "ec_numbers": [],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Ground level",
    "population_density": "Urban (>1000 people/square mile)"
  },
  "general_comment": "Note that this substance has two isomers with different impact factors, but registered under the same CAS. Separate elementary flows are available. Reference elementary flow of the International Reference Life Cycle Data System (ILCD).",
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
    {
      "method_uuid": "6209b35f-9447-40b5-b68c-a1099e3674a0",
      "name": "Climate change",
      "methodology": "Environmental Footprint",
      "impact_category": "Climate change",
      "impact_indicator": "Radiative forcing as Global Warming Potential (GWP100)",
      "characterization_factor": 2590.0
    },
    {
      "method_uuid": "7fce5b3a-66b8-4ce1-91e8-a925aee1f186",
      "name": "Climate change-Fossil",
      "methodology": "Environmental Footprint",
      "impact_category": "Climate change",
      "impact_indicator": "Radiative forcing as Global Warming Potential (GWP100)",
      "characterization_factor": 2590.0
    }
  ],
  "source": "EF 3.1",
  "identifier": "b33305ee-ac45-49d2-a101-7a40de76a54c",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "b33305ee-ac45-49d2-a101-7a40de76a54c",
      "source_flow_name": "HFE-236ea2",
      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
        "input_dataset": "EF 3.1",
        "original_context": [
          "Emissions",
          "Emissions to air",
          "Emissions to urban air close to ground"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "1,2,2-Trifluoroethyl trifluoromethyl ether",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:84011-06-3",
          "CID:2777152"
        ],
        "prov:wasDerivedFrom": "pubchem record title"
      }
    }
  ],
  "_sources": {
    "prefLabel": "pubchem_readable_name",
    "name": "bootstrap_labels",
    "synonyms": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "properties": "rdkit_post_consensus",
    "skos:definition": "enrich_references",
    "references": "enrich_references",
    "cas_match_labels": "consensus_match",
    "altLabel": "pubchem_readable_name"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C3H2F6O"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:2777152"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(C(F)F)(OC(F)(F)F)F"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "NYIXJXBRWHOWFJ-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:2777152"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(C(F)F)(OC(F)(F)F)F"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C(C(F)F)(OC(F)(F)F)F",
        "FC(F)C(F)OC(F)(F)F"
      ],
      "rdfs:label": "SMILES",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:2777152"
          ],
          "prov:wasDerivedFrom": "pubchem.props.SMILES"
        },
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(C(F)F)(OC(F)(F)F)F"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(C(F)F)(OC(F)(F)F)F"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C3H2F6O/c4-1(5)2(6)10-3(7,8)9/h1-2H"
      ],
      "rdfs:label": "InChI",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:2777152"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChI"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(C(F)F)(OC(F)(F)F)F"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "1,1,2-trifluoro-2-(trifluoromethoxy)ethane",
        "1,1,2-tris(fluoranyl)-2-(trifluoromethyloxy)ethane"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:2777152"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        "168.036"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(C(F)F)(OC(F)(F)F)F"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(C(F)F)(OC(F)(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": [
        "168.000984"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(C(F)F)(OC(F)(F)F)F"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(C(F)F)(OC(F)(F)F)F"
          ]
        }
      ],
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.141.359C",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:2777152;CAS:84011-06-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[84011-06-3]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.257.510",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:2777152;CAS:84011-06-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[84011-06-3]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=84011-06-3",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "84011-06-3"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID40380393",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:2777152;CAS:84011-06-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[84011-06-3]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/2777152",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:2777152;CAS:84011-06-3"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[84011-06-3]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q66084523",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:2777152;CAS:84011-06-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[84011-06-3]"
      }
    }
  ],
  "cas_match_labels": {
    "84011-06-3": "exactMatch"
  },
  "altLabel": [
    {
      "@value": "HFE-236ea2",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "b33305ee-ac45-49d2-a101-7a40de76a54c"
        ],
        "prov:wasDerivedFrom": "previous prefLabel"
      }
    }
  ],
  "http://www.w3.org/2002/07/owl#deprecated": true,
  "http://purl.org/dc/terms/isReplacedBy": "urn:uuid:752528e2-5e95-4401-a256-ba64a6b169f7",
  "is_replaced_by_uuid": "752528e2-5e95-4401-a256-ba64a6b169f7",
  "flow_object_id": "fo-d2085d775ba0e30f"
}