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A1CFQ

Summary
Name:4-[bis(3,4-difluorophenyl)methylidene]piperidine
Formula:C18 H15 F4 N
Formal charge:0
Formula weight:321.312 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.524-[bis(3,4-difluorophenyl)methylidene]piperidine
OpenEye OEToolkits3.1.0.04-[bis[3,4-bis(fluoranyl)phenyl]methylidene]piperidine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52Fc1ccc(cc1F)C(/c1cc(F)c(F)cc1)=C1/CCNCC1
InChIInChI1.06InChI=1S/C18H15F4N/c19-14-3-1-12(9-16(14)21)18(11-5-7-23-8-6-11)13-2-4-15(20)17(22)10-13/h1-4,9-10,23H,5-8H2
InChIKeyInChI1.06AJTRJOKXFFWCMA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Fc1ccc(cc1F)C(=C2CCNCC2)c3ccc(F)c(F)c3
SMILESCACTVS3.385Fc1ccc(cc1F)C(=C2CCNCC2)c3ccc(F)c(F)c3
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc(c(cc1C(=C2CCNCC2)c3ccc(c(c3)F)F)F)F
SMILESOpenEye OEToolkits3.1.0.0c1cc(c(cc1C(=C2CCNCC2)c3ccc(c(c3)F)F)F)F

259987

PDB entries from 2026-09-23

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