12967 <common-name>Heptafluorobutanoyl fluoride</common-name> <description>Heptafluorobutanoyl fluoride (C4F8O) is an organic compound with an average molecular weight of 216.03 g/mol. Heptafluorobutanoyl fluoride belongs to the acyl fluorides, a subclass of acyl halides within the organic compounds. It is further classified under the superclass of organohalogen compounds. The compound has been found in or released from 13 recorded sources across several sectors. In the electrical and electronic equipment sector, it is associated with capacitors, batteries, cell phones, printed circuit boards, wires and cables, and one additional source. It is found in synthetic textiles, carpets and rugs within the textiles, leather and furnishings sector. Other recorded sources include food packaging from the food, food processing and cookware sector, medical devices from the healthcare, pharmaceuticals and veterinary products sector, and lubricants from both the energy, oil and gas sector and the industrial manufacturing and chemical processing sector. One additional sector is also recorded. Exposure to heptafluorobutanoyl fluoride can occur through inhalation, oral, and touch routes.</description> <cas>335-42-2</cas> <pubchem-id>67632</pubchem-id> <chemical-formula>C4F8O</chemical-formula> <weight>216.03</weight> <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">2016-05-19T03:46:02Z</created-at> <updated-at type="dateTime">2026-08-22T15:16:00Z</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>FC(=O)C(F)(F)C(F)(F)C(F)(F)F</moldb-smiles> <moldb-formula>C4F8O</moldb-formula> <moldb-inchi>InChI=1S/C4F8O/c5-1(13)2(6,7)3(8,9)4(10,11)12</moldb-inchi> <moldb-inchikey>YYXWJNBPHDUWJP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">216.03</moldb-average-mass> <moldb-mono-mass type="decimal">215.982139924</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.7</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>60951</chemspider-id> <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>CHEM011862</chemdb-id> <dsstox-id>DTXSID0041696</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>PubChem</stoff-ident-origin> <stoff-ident-id>SI00005029</stoff-ident-id> <susdat-id>NS00011128</susdat-id> <iupac>2,2,3,3,4,4,4-heptafluorobutanoyl fluoride</iupac> <moldb-polar-surface-area>17.07</moldb-polar-surface-area> <moldb-refractivity>22.2134</moldb-refractivity> <moldb-polarizability>9.03859349974905</moldb-polarizability> <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count> <moldb-acceptor-count>1</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>2.11</moldb-alogps-logp> <moldb-alogps-logs>-4.05</moldb-alogps-logs> <moldb-alogps-solubility>1.91e-02 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organohalogen compounds</superklass> <klass>Acyl halides</klass> <subklass>Acyl fluorides</subklass> <paper-count type="integer">2</paper-count> <sync-id>CED0054177</sync-id> <structure-inchikey>YYXWJNBPHDUWJP-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>100000000000002000000008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000020000000000000000000000400004000000000010000000000000000000200000000000000000000000000000000000000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000002000000000000040000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000004000000000000000000000400800000000000000000000000000008</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAANAAAADAAAAIABCQAgAAAAAQYAKAAAAAME CAAoAAAAAwIGACAAAAAECQAgAAAAAQkAIAAAAAEGACAAAAAECQAgAAAAAQkA IAAAAAEGACAAAAAECQAgAAAAAQkAIAAAAAEJACAAAAABCwABAAECCAIBAwAD BAADBQADBgAGBwAGCAAGCQAJCgAJCwAJDABCAAAAABcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:04:57Z</structure-indexed-at> </compound>