104637 <common-name>N-(4,4,4-Trifluoro-3-oxo-1-phenylbutan-2-yl)ethanimidic acid</common-name> <description>N-(4,4,4-Trifluoro-3-oxo-1-phenylbutan-2-yl)ethanimidic acid belongs to the phenethylamines, a subclass of benzene and substituted derivatives within the organic compounds. This compound has the chemical formula C12H12F3NO2 and an average molecular weight of 259.23 g/mol. Within its pharmacological profile, one protein target has been recorded: Chymotrypsinogen B (CTRB1).</description> <cas>128656-63-3</cas> <pubchem-id>124969</pubchem-id> <chemical-formula>C12H12F3NO2</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">2026-04-05T11:46:36Z</created-at> <updated-at type="dateTime">2026-04-14T16:48:22Z</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>DB07380</drugbank-id> <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>[H][C@@](CC1=CC=CC=C1)(N=C(C)O)C(=O)C(F)(F)F</moldb-smiles> <moldb-formula>C12H12F3NO2</moldb-formula> <moldb-inchi>InChI=1S/C12H12F3NO2/c1-8(17)16-10(11(18)12(13,14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,16,17)/t10-/m0/s1</moldb-inchi> <moldb-inchikey>JTIIYPHJIDENCW-JTQLQIEISA-N</moldb-inchikey> <moldb-average-mass type="decimal">259.228</moldb-average-mass> <moldb-mono-mass type="decimal">259.0820133</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>CHEM100530</chemdb-id> <dsstox-id>DTXSID30926183</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00069438</susdat-id> <iupac nil="true"/> <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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Phenethylamines</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0161098</sync-id> <structure-inchikey>JTIIYPHJIDENCW-JTQLQIEISA-N</structure-inchikey> <structure-fingerprint>40000000000000000001800000002000000000000000000010000000000000000008000000000000000000000000000004000000000000000000000000200000000000000000000000000000000000000020000000000000000004000000000000000000010000000000004000000000022000000000000000000000000000400000000040200000800000000000000000000000000100000000000000000000000000000000000080000000080000000000080000040000000000000000000080000000000000000000000000000000000000000000001000200220000000000000000000000000000040000100000400800000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAASAAAAEgAAAIABBiA0AAAAAgEEBgBgAAAA AgIGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMD AQZAaAAAAAMDAQcAKAAAAAMDBgAoAAAAAwQGAGAAAAABAwgAaAAAAAMBAQYA KAAAAAMECAAoAAAAAwIGACAAAAAECQAgAAAAAQkAIAAAAAEJACAAAAABCwAB AAECAAIDaAwDBGgMBAVoDAUGaAwGB2gMAAgACAkoAgkKAAkLIAAMAAwNCAIM DgAODwAOEAAOEQAHAmgMQgEAAAAGAgcGBQQDFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:41:35Z</structure-indexed-at> </compound>