300894 <common-name>1-[2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridin-3-yl]ethanone</common-name> <description>1-[2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridin-3-yl]ethanone belongs to the trifluoromethylbenzenes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C16H15F3N2O3 and an average molecular weight of 340.30 g/mol.</description> <cas nil="true"/> <pubchem-id>10065825</pubchem-id> <chemical-formula>C16H15F3N2O3</chemical-formula> <weight>340.3</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">2026-08-28T17:50:57Z</created-at> <updated-at type="dateTime">2026-08-28T17:50:57Z</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>CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2C(F)(F)F)C(=O)C</moldb-smiles> <moldb-formula>C16H15F3N2O3</moldb-formula> <moldb-inchi>InChI=1S/C16H15F3N2O3/c1-8-13(10(3)22)14(15(21(23)24)9(2)20-8)11-6-4-5-7-12(11)16(17,18)19/h4-7,14,20H,1-3H3</moldb-inchi> <moldb-inchikey>YYIGWZQIEFYARO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">340.1034768</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>CHEM296787</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>1-[2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridin-3-yl]ethanone</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" nil="true"/> <sync-id>CED0252148</sync-id> <structure-inchikey>YYIGWZQIEFYARO-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000000000000000000000000000000000000200000000000400000000000001100000000000100000000000000000020000000000000000000000000000000000000020000000008000001000000000400000000000014000000200000000000000000010000000000000000000000000501000000048000000800000200000000000001000001100000000000000000000000000000000000000000000080000000000000000040080000000000800000000040000000000000000000000001000000000000000002000000200000000000000000c00000009000040000000000400800000001000000000000000008000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������(�������(�������`�������(�������(�������h��������`������ *��������(������ *���ÿ���@(������@h�������@h�������@h�������@h�������@(������� ���� � ���� � ���� � ������(�������(�������`�����������(���������(��� ����� � (�� �����h�� h� �h���h���h��������������� ��(������ ��h�B������������� ��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:10:48Z</structure-indexed-at> </compound>