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1,2,2-Trifluoroethyl trifluoromethyl ether

UUID 3c1af7e2-17d4-4b65-90bf-45ac0a8c6eae
Deprecated yes
Replaced By 2ce86a90-4aef-4db9-bbe0-267426f054e5
Flow Object IDfo-d2085d775ba0e30f
Source EF 3.1
Context Environmental → Water → Surface water
CAS Numbers 84011-06-3
prefLabel
Language Value Provenance
en 1,2,2-Trifluoroethyl trifluoromethyl ether
altLabel
Language Value Provenance
en HFE-236fa
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
SMILES C(C(F)F)(OC(F)(F)F)F

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 3c1af7e2-17d4-4b65-90bf-45ac0a8c6eae HFE-236fa

Consolidated Field Provenance

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

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 consensus_match group_key=hfe-236ea2||dimension=Environmental > media=Ground > geography=Unknown; cas=84011-06-3; added current EF name as altLabel when prefLabel differs; object_uuid=fo-d2085d775ba0e30f
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'}
prefLabel 1 consensus_match group_key=hfe-236ea2||dimension=Environmental > media=Ground > geography=Unknown; cas=84011-06-3; set prefLabel for unique CAS in context using entropy rule; selected=current; current_entropy=2.7255; pubchem_entropy=3.8046; current_score=2.8155; pubchem_score=4.1546; score_improvement=-1.3391; threshold=0.400; min_margin=0.400; object_uuid=fo-d2085d775ba0e30f

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodySurface water

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': 'HFE-236fa', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': 'HFE-236ea2', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'entropy rule kept original name'}}] group_key=hfe-236ea2||dimension=Environmental > media=Ground > geography=Unknown; cas=84011-06-3; set prefLabel for unique CAS in context using entropy rule; selected=current; current_entropy=2.7255; pubchem_entropy=3.8046; current_score=2.8155; pubchem_score=4.1546; score_improvement=-1.3391; threshold=0.400; min_margin=0.400; object_uuid=fo-d2085d775ba0e30f
altLabel None [{'@value': 'HFE-236fa', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original EF name retained as altLabel'}}] group_key=hfe-236ea2||dimension=Environmental > media=Ground > geography=Unknown; cas=84011-06-3; added current EF name as altLabel when prefLabel differs; object_uuid=fo-d2085d775ba0e30f
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": "3c1af7e2-17d4-4b65-90bf-45ac0a8c6eae",
  "name": null,
  "cas_numbers": [
    "84011-06-3"
  ],
  "ec_numbers": [],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Surface water"
  },
  "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": [],
  "source": "EF 3.1",
  "identifier": "3c1af7e2-17d4-4b65-90bf-45ac0a8c6eae",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
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      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "3c1af7e2-17d4-4b65-90bf-45ac0a8c6eae",
      "source_flow_name": "HFE-236fa",
      "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 water",
          "Emissions to fresh water"
        ]
      }
    }
  ],
  "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": "enrich_references",
    "skos:definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "pubchem_readable_name",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-suwa",
  "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"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "NYIXJXBRWHOWFJ-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C(C(F)F)(OC(F)(F)F)F"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
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        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "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": {
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        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "pubchem.props.InChI"
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    },
    "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": {
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        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.141.359C",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[84011-06-3]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.257.510",
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        "prov:wasDerivedFrom": "pubchem.identifiers[84011-06-3]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=84011-06-3",
      "provenance": {
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        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "cas_numbers"
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    },
    {
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        "prov:wasDerivedFrom": "pubchem.identifiers[84011-06-3]"
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        "prov:wasDerivedFrom": "pubchem.by_cas[84011-06-3]"
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    },
    {
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        "prov:wasDerivedFrom": "pubchem.identifiers[84011-06-3]"
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    }
  ],
  "altLabel": [
    {
      "@value": "HFE-236fa",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "original EF name retained as altLabel"
      }
    },
    {
      "@value": "HFE-236ea2",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "3c1af7e2-17d4-4b65-90bf-45ac0a8c6eae"
        ],
        "prov:wasDerivedFrom": "previous prefLabel"
      }
    }
  ],
  "cas_match_labels": {
    "84011-06-3": "exactMatch"
  },
  "http://www.w3.org/2002/07/owl#deprecated": true,
  "http://purl.org/dc/terms/isReplacedBy": "urn:uuid:2ce86a90-4aef-4db9-bbe0-267426f054e5",
  "is_replaced_by_uuid": "2ce86a90-4aef-4db9-bbe0-267426f054e5",
  "flow_object_id": "fo-d2085d775ba0e30f"
}