96032 <common-name>3',5'-Bis(trifluoromethyl)propiophenone</common-name> <description>3',5'-Bis(trifluoromethyl)propiophenone belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This organic oxygen compound has the chemical formula C11H8F6O and an average molecular weight of 270.17 g/mol.</description> <cas>85068-34-4</cas> <pubchem-id>522825</pubchem-id> <chemical-formula>C11H8F6O</chemical-formula> <weight>270.17</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">2026-04-05T03:54:40Z</created-at> <updated-at type="dateTime">2026-08-18T14:40:14Z</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>CCC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F</moldb-smiles> <moldb-formula>C11H8F6O</moldb-formula> <moldb-inchi>InChI=1/C11H8F6O/c1-2-9(18)6-3-7(10(12,13)14)5-8(4-6)11(15,16)17/h3-5H,2H2,1H3</moldb-inchi> <moldb-inchikey>VLRWCHKOSBUGMB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">270.174</moldb-average-mass> <moldb-mono-mass type="decimal">270.0479342</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.8</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>CHEM091925</chemdb-id> <dsstox-id>DTXSID70234138</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00058082</susdat-id> <iupac>1-[3,5-bis(trifluoromethyl)phenyl]propan-1-one</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>Organic oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Carbonyl compounds</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0086579</sync-id> <structure-inchikey>VLRWCHKOSBUGMB-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000002000000000000000000000000000000000000000000002000001000000000000000000000000000000000000000000000000000000000000000000000000000000000020000000000000000000000000000000000000014000000000000000100000210000000000000000000000000000000000000040000000000000000000000002000000000000000000000000080000000000000000000000000000084000000040000000040000000000000000000000000000000000000000000000000000000000840000000000000000000000000800000000000000000040000000000400800001000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>500000008102860080000240010820000000140001052000003020408220004c4402001011800000000041080080000004200224008c32010000643900a04200c41904001200040000901040126202020800858051201f3240040422400008000e2804070048020060000000c4940000248280100121c0041108000002110002004000080cd0020808040240082c0008191c081244401482000008000040008000c100000810c00000000840017c611002c00002894108401080021008400212a00000a404800002018000801405028004010010030050000d000000080001009000081000018000000000011112208000100430804200061000120052000000</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������(�������(������@(������@h�������@(������@h�������@(������@h�������� ���� � ���� � ���� � ������ ���� � ���� � ���� � �������������(��� ��h���h���h���h�� h�� � �� �� ������������� �h�B������ ��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:36:46Z</structure-indexed-at> </compound>