2,2,3,3-tetrafluorooxetane

2,2,3,3-Tetrafluorooxacyclobutane
Oxetane, 2,2,3,3-tetrafluoro-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	OFWDLJKVZZRPOX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C3H2F4O/c4-2(5)1-8-3(2,6)7/h1H2
IUPAC name chemrof:IUPAC_name	2,2,3,3-tetrafluorooxetane
Molecular formula chemrof:molecular_formula	C3H2F4O
Molecular mass chemrof:molecular_mass	130.04
Monoisotopic mass chemrof:monoisotopic_mass	130.004178
SMILES string chemrof:smiles_string	FC1(F)COC1(F)F

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=765-63-9	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.148.973	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID50880152	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J94.747D	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/10192570	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q72505205	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
b21282ed-7e2e-47ca-90db-87942d02a12a	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
196da950-71da-4b85-81ba-4c334b84bdec	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
21ecb83a-5ca8-4ca9-917b-6aa4e90fc3f3	Environmental → Air → Indoor	EF 3.1	kg	2
aea70d4d-ca43-403c-a398-e05f2c0f7ac2	Environmental → Air → Long-term	EF 3.1	kg	0
acfd15e5-7be8-42f4-880e-fa86bc48c2a3	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
a03d7a80-8e60-46a0-999b-4aae99c619df	Environmental → Air → Unknown	EF 3.1	kg	2
dc8f29f2-7867-4340-9246-ac274123de84	Environmental → Ground → Agricultural	EF 3.1	kg	2
981aa2e0-5869-4181-bf38-0c955cd973c7	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
fd2a1548-093b-4f01-8899-31291cb93f10	Environmental → Ground → Unknown	EF 3.1	kg	2
7690c0f1-d5c9-45e3-9722-7c5de0a231fe	Environmental → Water → Long-term	EF 3.1	kg	0
06d44466-717c-4d88-a891-bce846bf5f65	Environmental → Water → Ocean	EF 3.1	kg	2
4484d4bc-f9f0-4820-ae54-35bab7434f88	Environmental → Water → Surface water	EF 3.1	kg	2
c32d16c3-b52e-414f-a3fb-11a6813172e6	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (53 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-709212a5ea429d11",
  "prefLabel": [
    {
      "@value": "2,2,3,3-tetrafluorooxetane",
      "@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": "2,2,3,3-Tetrafluorooxacyclobutane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:765-63-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=765-63-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Oxetane, 2,2,3,3-tetrafluoro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:765-63-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=765-63-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C3H2F4O"
      ],
      "attested_by": {
        "C3H2F4O": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:10192570"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "FC1(F)COC1(F)F"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "OFWDLJKVZZRPOX-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "OFWDLJKVZZRPOX-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:10192570"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "FC1(F)COC1(F)F"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "FC1(F)COC1(F)F"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2,2,3,3-tetrafluorooxetane"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "FC1(F)COC1(F)F"
          ]
        }
      ],
      "attested_by": {
        "FC1(F)COC1(F)F": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C3H2F4O/c4-2(5)1-8-3(2,6)7/h1H2"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2,2,3,3-tetrafluorooxetane"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "FC1(F)COC1(F)F"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C3H2F4O/c4-2(5)1-8-3(2,6)7/h1H2": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "2,2,3,3-tetrafluorooxetane"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "2,2,3,3-tetrafluorooxetane"
        ]
      },
      "attested_by": {
        "2,2,3,3-tetrafluorooxetane": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        130.04
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1C(C(O1)(F)F)(F)F"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "FC1(F)COC1(F)F"
          ]
        }
      ],
      "attested_by": {
        "130.04": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "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": [
        130.004178
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1C(C(O1)(F)F)(F)F"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "FC1(F)COC1(F)F"
          ]
        }
      ],
      "attested_by": {
        "130.004178": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "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=J94.747D",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:10192570;CAS:765-63-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[765-63-9]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.148.973",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:10192570;CAS:765-63-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[765-63-9]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=765-63-9",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:10192570;CAS:765-63-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[765-63-9]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID50880152",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:10192570;CAS:765-63-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[765-63-9]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/10192570",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:10192570;CAS:765-63-9"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[765-63-9]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q72505205",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:10192570;CAS:765-63-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[765-63-9]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "06d44466-717c-4d88-a891-bce846bf5f65",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "765-63-9"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=765-63-9"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=765-63-9"
        }
      ],
      "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": [
        "700-202-5"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=700-202-5"
      ],
      "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/NeutralMolecule"
  ]
}

2,2,3,3-tetrafluorooxetane

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Keyboard