123068 <common-name>N-[4-(3,4-Difluorophenyl)-1,3-thiazol-2-yl]-2,2,3,3,4,4,4-heptafluorobutanamide</common-name> <description>N-[4-(3,4-Difluorophenyl)-1,3-thiazol-2-yl]-2,2,3,3,4,4,4-heptafluorobutanamide is an organic compound with the chemical formula C13H5F9N2OS and an average molecular weight of 408.24 g/mol. N-[4-(3,4-Difluorophenyl)-1,3-thiazol-2-yl]-2,2,3,3,4,4,4-heptafluorobutanamide belongs to the alkyl fluorides, a subclass of alkyl halides within the organic compounds. This substance is found in or released from 13 recorded sources across multiple 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. Within textiles, leather and furnishings, it is found in carpets, rugs, and synthetic textiles. It is also present in food packaging from the food, food processing and cookware sector, and in medical devices from the healthcare, pharmaceuticals and veterinary products sector. Additionally, it is used as lubricants within the energy, oil and gas sector as well as the industrial manufacturing and chemical processing sector, and is found in one further sector. Recorded exposure routes for this compound include inhalation, oral, and touch.</description> <cas>299198-90-6</cas> <pubchem-id>3603767</pubchem-id> <chemical-formula>C13H5F9N2OS</chemical-formula> <weight>408.24</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">2026-04-06T06:26:54Z</created-at> <updated-at type="dateTime">2026-08-19T03:10:07Z</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>FC1=CC=C(C=C1F)C1=CSC(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)=N1</moldb-smiles> <moldb-formula>C13H5F9N2OS</moldb-formula> <moldb-inchi>InChI=1S/C13H5F9N2OS/c14-6-2-1-5(3-7(6)15)8-4-26-10(23-8)24-9(25)11(16,17)12(18,19)13(20,21)22/h1-4H,(H,23,24,25)</moldb-inchi> <moldb-inchikey>NMSMFTYYEWHMJX-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">408.24</moldb-average-mass> <moldb-mono-mass type="decimal">407.9978878</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.8</logp> <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>CHEM118961</chemdb-id> <dsstox-id>DTXSID50896273</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00110777</susdat-id> <iupac>N-[4-(3,4-Difluorophenyl)-1,3-thiazol-2-yl]-2,2,3,3,4,4,4-heptafluorobutanamide</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>Organohalogen compounds</superklass> <klass>Alkyl halides</klass> <subklass>Alkyl fluorides</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0160746</sync-id> <structure-inchikey>NMSMFTYYEWHMJX-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>10000000000000240000000000000000200000008000000000000000000000000000000000000000204000000000000000000000000000000000001000008000002000000000000000002000001000001200000000040000000000000003000000000000002010020080000000000000000000080000000000000000000000000000000000000000008080000000000002000000000000a000000000000000000080000000080002000000000000040000000000000000000010000001000000000000000000004000000000000000000000000200000000000000008004008001000040000000000400800000000000000000000000000000</structure-fingerprint> 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