68803 <common-name>3,4,5-Trifluorophenyl 4'-propyl[1,1'-bi(cyclohexane)]-4-carboxylate</common-name> <description>3,4,5-Trifluorophenyl 4'-propyl[1,1'-bi(cyclohexane)]-4-carboxylate belongs to the phenol esters, a class of benzenoids within the organic compounds. This compound has the chemical formula C22H29F3O2 and an average molecular weight of 382.47 g/mol.</description> <cas>132123-45-6</cas> <pubchem-id>11728674</pubchem-id> <chemical-formula>C22H29F3O2</chemical-formula> <weight>382.5</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">2026-04-03T13:31:56Z</created-at> <updated-at type="dateTime">2026-08-21T22:47:10Z</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>CCCC1CCC(CC1)C1CCC(CC1)C(=O)OC1=CC(F)=C(F)C(F)=C1</moldb-smiles> <moldb-formula>C22H29F3O2</moldb-formula> <moldb-inchi>InChI=1S/C22H29F3O2/c1-2-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)22(26)27-18-12-19(23)21(25)20(24)13-18/h12-17H,2-11H2,1H3/t14-,15-,16-,17+</moldb-inchi> <moldb-inchikey>SDAWLPKKYZMFEM-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">382.467</moldb-average-mass> <moldb-mono-mass type="decimal">382.211965</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>7.8</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>9903390</chemspider-id> <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>CHEM064696</chemdb-id> <dsstox-id>DTXSID50471226</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00024189</susdat-id> <iupac>(3,4,5-trifluorophenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate</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>Phenol esters</klass> <subklass nil="true"/> <paper-count type="integer">0</paper-count> <sync-id>CED0163621</sync-id> <structure-inchikey>SDAWLPKKYZMFEM-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000001000000800000002000000000000000000000000000000000001800000002200000200000000000000000000200000000000000000000001000000002000000000000400000000000000020000000000110000000000000000000000020010000008000000000100000200000020010000000020000000000100000000040000000000000000000000000000000000000000000000000000000000000000004000000000000080000000000000004000000000000000000000000000000000000000000000100000000010000000000000040000000000000000000000000008000000040000000000400800000000080002000000000000001</structure-fingerprint> <structure-pattern-fingerprint>5010002005328e4089000b40812820000000140081052000003520408224084c4c020010108000000000411800c00000046002a4408d32010024643100a04010c6110c001280060000901020017203000804058051011a3240040462400049000c28052f0048820040000400c5b40009248280500105e0441108000002510002104400080ef0820808060250882c0008191d085244401402100408280040c08000c110101090c00000004860017c25100ac00000a941084010000a1008c00210801100a40490003a01808400161902800c050000020070000d0002000800030090104810088000000000000351122000001000308042040e0000100050000200</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������(�������(�������(������@(������@h�������@(����� � �����@(����� � �����@(����� � �����@h�������������������������������� � � ������ � �������(��� �� ��h���h������h������h������h����� ���h�B������������ �� � �����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:18:42Z</structure-indexed-at> </compound>