366170 <common-name>(4z)-1,1,1-trifluoro-4-hydroxyimino-4-thiophen-2-yl-2-(trifluoromethyl)butan-2-ol</common-name> <description>(4z)-1,1,1-trifluoro-4-hydroxyimino-4-thiophen-2-yl-2-(trifluoromethyl)butan-2-ol is a chemical compound with the formula C9H7F6NO2S. It has an average molecular weight of 307.21 g/mol.</description> <cas>100513-54-0</cas> <pubchem-id>5383032</pubchem-id> <chemical-formula>C9H7F6NO2S</chemical-formula> <weight>307.21</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">2026-09-01T17:13:58Z</created-at> <updated-at type="dateTime">2026-09-01T17:13:58Z</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>C1=CSC(=C1)C(=NO)CC(C(F)(F)F)(C(F)(F)F)O</moldb-smiles> <moldb-formula>C9H7F6NO2S</moldb-formula> <moldb-inchi>InChI=1S/C9H7F6NO2S/c10-8(11,12)7(17,9(13,14)15)4-5(16-18)6-2-1-3-19-6/h1-3,17-18H,4H2/b16-5-</moldb-inchi> <moldb-inchikey>ITGUSLGHWMHJRN-BNCCVWRVSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">307.0101686</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.2</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>CHEM362063</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>(4z)-1,1,1-trifluoro-4-hydroxyimino-4-thiophen-2-yl-2-(trifluoromethyl)butan-2-ol</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>Organoheterocyclic compounds</superklass> <klass>Heteroaromatic compounds</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0316100</sync-id> <structure-inchikey>ITGUSLGHWMHJRN-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000000100001801080002000000000000000000000004000000040000000000000000000000001000000000100000000100000000000000000000000000000000000000000000000000000000000000010000000000004000000000000008000010000000000000000000000000010000000000000000000000008000000000004000000800000000000000008000000000000000008000000000000000000000000002000000000080000000000000000040000000000000000000000000001000000000000000080000000000000000000000000000200000000000000000000000000000040000000080000800000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAATAAAAEwAAAIABBkBoAAAAAwMBBkBoAAAA AwMBEEAoAAAAAwIGQCgAAAADBAZAaAAAAAMDAQYAKAAAAAMEBwAoAAAAAwMI AGgAAAADAQEGAGAAAAACAgYAIAAAAAQGACAAAAAECQAgAAAAAQkAIAAAAAEJ ACAAAAABBgAgAAAABAkAIAAAAAEJACAAAAABCQAgAAAAAQgAYAAAAAEBCwAB aAwBAmgMAgNoDAMEaAwDBSAFBigCBgcgBQgACAkACQoACgsACgwACg0ACQ4A Dg8ADhAADhEACRIABABoDEIBAAAABQABAgMEFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T06:02:01Z</structure-indexed-at> </compound>