← Back to consensus flow objects

Methyl Trifluoromethyl Ether

2D structure
Flow Object IDfo-48ed32f86342331a
TypeConsensus
prefLabel
Label Language
Methyl Trifluoromethyl Ether en
CAS Numbers 421-14-7
Changes Applied11

Provenance

Field Value
Resolverhybrid_name_cas_v1
Seed SourceEF 3.1
Seed Flow042139ee-957c-4b70-89f8-01bab82f3778

Properties

Predicate Value
InChIKey JRHMNRMPVRXNOS-UHFFFAOYSA-N, PKVIIPGIGKYQFI-UHFFFAOYSA-N
InChI InChI=1S/C2H3F3O/c1-6-2(3,4)5/h1H3
IUPAC name Methyl Trifluoromethyl Ether
Molecular formula C14H22O2, C2H3F3O
Molecular mass 100.039, 222.328
Monoisotopic mass 100.013599, 222.16198
SMILES COC(F)(F)F

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
6ad38d57… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 1
341eab87… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 0 1
bf80615e… EF 3.1 kg Environmental → Air → High stack, >150 meters 0 1
5a24f510… EF 3.1 kg Environmental → Air → Unknown 0 1
6d06f38b… EF 3.1 kg Environmental → Ground → Agricultural 0 1
042139ee… EF 3.1 kg Environmental → Ground → Unknown 0 1
a8a362fd… EF 3.1 kg Environmental → Water → Ocean 0 1
348e5b41… EF 3.1 kg Environmental → Water → Surface water 0 1
4f47060c… EF 3.1 kg Environmental → Water → Unknown 0 1
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
042139ee… cas_match_labels — {"421-14-7":"exactMatch"} group_key=methyltrifluoromethylether||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'421-14-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-48ed32f86342331a: {'421-14-7': 'exactMatch'}
341eab87… cas_match_labels — {"421-14-7":"exactMatch"} group_key=methyltrifluoromethylether||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'421-14-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-48ed32f86342331a: {'421-14-7': 'exactMatch'}
348e5b41… cas_match_labels — {"421-14-7":"exactMatch"} group_key=methyltrifluoromethylether||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'421-14-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-48ed32f86342331a: {'421-14-7': 'exactMatch'}
4f47060c… cas_match_labels — {"421-14-7":"exactMatch"} group_key=methyltrifluoromethylether||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'421-14-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-48ed32f86342331a: {'421-14-7': 'exactMatch'}
5a24f510… cas_match_labels — {"421-14-7":"exactMatch"} group_key=methyltrifluoromethylether||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'421-14-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-48ed32f86342331a: {'421-14-7': 'exactMatch'}
6ad38d57… cas_match_labels — {"421-14-7":"exactMatch"} group_key=methyltrifluoromethylether||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'421-14-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-48ed32f86342331a: {'421-14-7': 'exactMatch'}
6d06f38b… cas_match_labels — {"421-14-7":"exactMatch"} group_key=methyltrifluoromethylether||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'421-14-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-48ed32f86342331a: {'421-14-7': 'exactMatch'}
6f0b617c… cas_match_labels — {"421-14-7":"exactMatch"} group_key=methyltrifluoromethylether||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'421-14-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-48ed32f86342331a: {'421-14-7': 'exactMatch'}
a8a362fd… cas_match_labels — {"421-14-7":"exactMatch"} group_key=methyltrifluoromethylether||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'421-14-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-48ed32f86342331a: {'421-14-7': 'exactMatch'}
bf80615e… cas_match_labels — {"421-14-7":"exactMatch"} group_key=methyltrifluoromethylether||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'421-14-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-48ed32f86342331a: {'421-14-7': 'exactMatch'}
c0e525ea… cas_match_labels — {"421-14-7":"exactMatch"} group_key=methyltrifluoromethylether||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'421-14-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-48ed32f86342331a: {'421-14-7': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-48ed32f86342331a",
  "prefLabel": [
    {
      "@value": "Methyl Trifluoromethyl Ether",
      "@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/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C14H22O2",
        "C2H3F3O"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:73947",
            "CID:161936"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COC(F)(F)F"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "JRHMNRMPVRXNOS-UHFFFAOYSA-N",
        "PKVIIPGIGKYQFI-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:73947",
            "CID:161936"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COC(F)(F)F"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "COC(F)(F)F"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Methyl Trifluoromethyl Ether"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COC(F)(F)F"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C2H3F3O/c1-6-2(3,4)5/h1H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Methyl Trifluoromethyl Ether"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COC(F)(F)F"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Methyl Trifluoromethyl Ether"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Methyl Trifluoromethyl Ether"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        "100.039",
        "222.328"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCC(C)C1CCCCC1(C#C)OC(=O)C"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COC(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": [
        "100.013599",
        "222.16198"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCC(C)C1CCCCC1(C#C)OC(=O)C"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COC(F)(F)F"
          ]
        }
      ],
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J260.752B",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:161936;CAS:421-14-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[421-14-7]"
      }
    },
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J665.420G",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:73947;CAS:421-14-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[421-14-7]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.048.510",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:161936;CAS:421-14-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[421-14-7]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=421-14-7",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "421-14-7"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID00865853",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:161936;CAS:421-14-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[421-14-7]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID5073903",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:73947;CAS:421-14-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[421-14-7]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/161936",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:161936;CAS:421-14-7"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[421-14-7]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/73947",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:73947;CAS:421-14-7"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[421-14-7]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q66084479",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:73947;CAS:421-14-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[421-14-7]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82854688",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:161936;CAS:421-14-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[421-14-7]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "042139ee-957c-4b70-89f8-01bab82f3778",
    "seed_source": "EF 3.1"
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "421-14-7"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=421-14-7"
      ],
      "skos:exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=421-14-7"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null
}