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Potassium Trifluoroacetate

fo-7fae824b41620bb9

Identity

Type
Chemical salt
CAS
2923-16-2
EC
220-877-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Potassium Trifluoroacetate

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string CUNPJFGIODEJLQ-UHFFFAOYSA-M, SIMZKPFFQPBRPY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C2HF3O2.K/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1
IUPAC name chemrof:IUPAC_name Potassium Trifluoroacetate
Molecular formula chemrof:molecular_formula C2F3KO2, C2HF3KO2
SMILES string chemrof:smiles_string O=C([O-])C(F)(F)F.[K+]

Known URLs

2

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=2923-16-2 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/45051790 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
fb87d422-50f8-4767-b654-7b014b9d530a Environmental → Air → Aircraft cruise height EF 3.1 kg 4
c48366d7-64da-4c4c-8e4c-392e9e4ff594 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
eed4fd3e-f14d-439e-b0ee-664655e4d615 Environmental → Air → Indoor EF 3.1 kg 4
109da889-a032-45a6-911f-64fd684b7fce Environmental → Air → Long-term EF 3.1 kg 0
360a1e35-fe2c-46e7-9236-c12ba0a696da Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
434a956b-4f4f-493d-88f0-3134bda6abb1 Environmental → Air → Unknown EF 3.1 kg 4
6f1b70eb-731b-4aef-9e99-658bda14832b Environmental → Ground → Agricultural EF 3.1 kg 4
f7aa6448-cd05-418f-a25d-4ed5be7b3c80 Environmental → Ground → Non-agricultural EF 3.1 kg 4
8174fdb6-8cbd-4f02-b60d-99c48bf2dab7 Environmental → Ground → Unknown EF 3.1 kg 4
e7c91a90-f9ac-491b-85b0-43629d61b7b3 Environmental → Water → Long-term EF 3.1 kg 0
49a14f27-f712-4177-9d3e-52bede105672 Environmental → Water → Ocean EF 3.1 kg 4
13fa5c2a-f216-4576-b08f-0a79f9c6c2bc Environmental → Water → Surface water EF 3.1 kg 4
b35b2e54-16c5-45a1-bd4e-fb7731bc8c06 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-7fae824b41620bb9",
  "prefLabel": [
    {
      "@value": "Potassium Trifluoroacetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Acetic acid, 2,2,2-trifluoro-, potassium salt (1:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2923-16-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2923-16-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Acetic acid, trifluoro-, potassium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2923-16-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2923-16-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C2F3KO2",
        "C2HF3KO2"
      ],
      "attested_by": {
        "C2HF3KO2": [
          "enrich_references.pubchem_semantic"
        ],
        "C2F3KO2": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:45051790"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=C([O-])C(F)(F)F.[K+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "CUNPJFGIODEJLQ-UHFFFAOYSA-M",
        "SIMZKPFFQPBRPY-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "SIMZKPFFQPBRPY-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic"
        ],
        "CUNPJFGIODEJLQ-UHFFFAOYSA-M": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:45051790"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=C([O-])C(F)(F)F.[K+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "O=C([O-])C(F)(F)F.[K+]"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Potassium Trifluoroacetate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=C([O-])C(F)(F)F.[K+]"
          ]
        }
      ],
      "attested_by": {
        "O=C([O-])C(F)(F)F.[K+]": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C2HF3O2.K/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Potassium Trifluoroacetate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=C([O-])C(F)(F)F.[K+]"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C2HF3O2.K/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Potassium Trifluoroacetate"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Potassium Trifluoroacetate"
        ]
      },
      "attested_by": {
        "Potassium Trifluoroacetate": [
          "opsin_iupac"
        ]
      }
    }
  },
  "references": [
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=2923-16-2",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:45051790;CAS:2923-16-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[2923-16-2]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/45051790",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:45051790;CAS:2923-16-2"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[2923-16-2]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "109da889-a032-45a6-911f-64fd684b7fce",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "multi_component_ionic",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/ChemicalSalt"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.multi_component_ionic"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "2923-16-2"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=2923-16-2"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=2923-16-2"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "220-877-5"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=220-877-5"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/ChemicalSalt"
  ]
}

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