282729 <common-name>(e)-4-oxo-4-[4-(trifluoromethyl)phenyl]but-2-enoic acid</common-name> <description>(e)-4-oxo-4-[4-(trifluoromethyl)phenyl]but-2-enoic acid belongs to the trifluoromethylbenzenes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C11H7F3O3 and an average molecular weight of 244.17 g/mol.</description> <cas>85293-41-0</cas> <pubchem-id>6448295</pubchem-id> <chemical-formula>C11H7F3O3</chemical-formula> <weight>244.17</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">2026-08-27T18:15:00Z</created-at> <updated-at type="dateTime">2026-08-27T18:15:00Z</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>C1=CC(=CC=C1C(=O)C=CC(=O)O)C(F)(F)F</moldb-smiles> <moldb-formula>C11H7F3O3</moldb-formula> <moldb-inchi>InChI=1S/C11H7F3O3/c12-11(13,14)8-3-1-7(2-4-8)9(15)5-6-10(16)17/h1-6H,(H,16,17)/b6-5+</moldb-inchi> <moldb-inchikey>GTEGXWRXDLLGGZ-AATRIKPKSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">244.0347286</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.4</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>CHEM278622</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>(e)-4-oxo-4-[4-(trifluoromethyl)phenyl]but-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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Trifluoromethylbenzenes</subklass> <paper-count type="integer">2</paper-count> <sync-id>CED0052631</sync-id> <structure-inchikey>GTEGXWRXDLLGGZ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>1000400000000000000002000000000000000000000000000000000000000000000000000000000000000000104000000000000000000000000000000000000000000000000000000000000000020000000000200000000000000000000000000014000000000000000000000000000000000000000008000000000000000000000000000000000000000000000000040000000000000000000080000000000000000000000000000084000000040000000040000000000000000000800000000000000000000000000000000500000024000400000000200000000000000000000000000000040000000000400800000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>500000000102060080000000010820000000040001052000003000408200000c54020010008000000000410800800000042000a0008c30010400443000a04200c4190400020004000090102000620302000005805000193240040422400009000e3004060048020060000000c4340000240080100025e0041108000002110002004400080c40020808000200880c0008111c001244401482000408000040008000c100000000c00000000840017c611002c00000894108401080021008400210800000a40480000201c000000405028000000000020050000d0000000800000000000c1000018000000004010012200000100010804000020000020052000000</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€��@h�������@h�������@(������@h�������@h�������@(�������(�������(�������h��������h��������(�������(�������h�������� ���� � ���� � ���� � �������h���h���h���h���h��� ��(��� � (� �(� � � � �� �� ����h�B���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:57:28Z</structure-indexed-at> </compound>