283376 <common-name>5-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine</common-name> <description>5-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine belongs to the trifluoromethylbenzenes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C12H12F3N and an average molecular weight of 227.22 g/mol.</description> <cas nil="true"/> <pubchem-id>3054981</pubchem-id> <chemical-formula>C12H12F3N</chemical-formula> <weight>227.22</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">2026-08-27T18:56:39Z</created-at> <updated-at type="dateTime">2026-08-27T18:56:39Z</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>C1CNCC(=C1)C2=CC(=CC=C2)C(F)(F)F</moldb-smiles> <moldb-formula>C12H12F3N</moldb-formula> <moldb-inchi>InChI=1S/C12H12F3N/c13-12(14,15)11-5-1-3-9(7-11)10-4-2-6-16-8-10/h1,3-5,7,16H,2,6,8H2</moldb-inchi> <moldb-inchikey>JINDKOVXZGVBGY-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">227.0921839</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.5</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>CHEM279269</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>5-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine</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>CED0235289</sync-id> <structure-inchikey>JINDKOVXZGVBGY-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000000000000000000000000000000000000000008000804000000000000000000000000000000000000000000000000000000000000000000000000000000000010000000000000000000080008000000002000000004000000000000000100000000000020000000000000000000002000001000000000000800000200000001000800000000000000000000000080000000000080000000000000000080000000040000000040000000000000000600000000000000000000001000000000000000000020000000000000200000004000000000000000000000040000000000100800000000000000000000040000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������(�������h�������@(������@h�������@(������@h�������@h�������@h�������� ���� � ���� � ���� � �������������������(��� ��h���h�� h� h� �h����� ������������h�B�������������� ������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:57:55Z</structure-indexed-at> </compound>