122554 <common-name>4,4,5,5,6,6,6-Heptafluorohex-2-enoic acid</common-name> <description>4,4,5,5,6,6,6-Heptafluorohex-2-enoic acid is an organic compound with the chemical formula C6H3F7O2 and an average molecular weight of 240.08 g/mol. 4,4,5,5,6,6,6-Heptafluorohex-2-enoic acid belongs to the fatty acids and conjugates, a subclass of fatty acyls within the organic compounds. This substance is found in or released from 13 recorded sources across several sectors. In the electrical and electronic equipment sector, it is associated with cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. It is found in textiles, leather and furnishings, specifically within synthetic textiles as well as carpets and rugs. Within the food, food processing and cookware sector, it is linked to food packaging, while in the healthcare, pharmaceuticals and veterinary products sector, it is associated with medical devices. Additionally, the compound is found in lubricants used in both the energy, oil and gas sector and the industrial manufacturing and chemical processing sector. It is also present in one additional sector. Recorded exposure routes for this compound include inhalation, oral, and touch.</description> <cas nil="true"/> <pubchem-id nil="true"/> <chemical-formula>C6H3F7O2</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-04-06T05:54:13Z</created-at> <updated-at type="dateTime">2026-05-21T04:56:44Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>OC(=O)C=CC(F)(F)C(F)(F)C(F)(F)F</moldb-smiles> <moldb-formula>C6H3F7O2</moldb-formula> <moldb-inchi>InChI=1S/C6H3F7O2/c7-4(8,2-1-3(14)15)5(9,10)6(11,12)13/h1-2H,(H,14,15)</moldb-inchi> <moldb-inchikey>KRBNWYYINLFKND-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">240.077</moldb-average-mass> <moldb-mono-mass type="decimal">240.0021269</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM118447</chemdb-id> <dsstox-id>DTXSID30895360</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00110023</susdat-id> <iupac>4,4,5,5,6,6,6-Heptafluorohex-2-enoic acid</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Lipids and lipid-like molecules</superklass> <klass>Fatty Acyls</klass> <subklass>Fatty acids and conjugates</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0159798</sync-id> <structure-inchikey>KRBNWYYINLFKND-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>1000000100000000000002000000000000000000000000000000000000000000000000000008000000000000004000000000000000000000000000000000000000000000000000000000000000020000000000200000000000000000000000000010000000000000000000200000000000000008000008000000000000000000000000000000000000000000000000000008000000000000000000000000000000000000000000000000002000000000000040000000000000000000800000000000000000000000000040000000000000000000000000000000000000000000000000000000000000000000400800000000020000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAPAAAADgAAAIABCABoAAAAAwEBBgAoAAAA AwQIACgAAAADAgYAaAAAAAMDAQYAaAAAAAMDAQYAIAAAAAQJACAAAAABCQAg AAAAAQYAIAAAAAQJACAAAAABCQAgAAAAAQYAIAAAAAQJACAAAAABCQAgAAAA AQkAIAAAAAELAAEgAQIoAgEDIAMEKAIEBQAFBgAFBwAFCAAICQAICgAICwAL DAALDQALDgBCAAAAABcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:45:48Z</structure-indexed-at> </compound>