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A1CKY

Summary
Name:(2Z)-3-{5-[4-(dimethylamino)phenyl]thiophen-2-yl}-4,4,4-trifluorobut-2-enal
Formula:C16 H14 F3 N O S
Formal charge:0
Formula weight:325.349 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(2Z)-3-{5-[4-(dimethylamino)phenyl]thiophen-2-yl}-4,4,4-trifluorobut-2-enal
OpenEye OEToolkits3.1.0.0(~{Z})-3-[5-[4-(dimethylamino)phenyl]thiophen-2-yl]-4,4,4-tris(fluoranyl)but-2-enal

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52FC(F)(F)C(=C\C=O)\c1ccc(s1)c1ccc(cc1)N(C)C
InChIInChI1.06InChI=1S/C16H14F3NOS/c1-20(2)12-5-3-11(4-6-12)14-7-8-15(22-14)13(9-10-21)16(17,18)19/h3-10H,1-2H3/b13-9+
InChIKeyInChI1.06IBZXIFQCUQYGAW-UKTHLTGXSA-N
SMILES_CANONICALCACTVS3.385CN(C)c1ccc(cc1)c2sc(cc2)\C(=C/C=O)C(F)(F)F
SMILESCACTVS3.385CN(C)c1ccc(cc1)c2sc(cc2)C(=CC=O)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits3.1.0.0CN(C)c1ccc(cc1)c2ccc(s2)/C(=C\C=O)/C(F)(F)F
SMILESOpenEye OEToolkits3.1.0.0CN(C)c1ccc(cc1)c2ccc(s2)C(=CC=O)C(F)(F)F

250835

PDB entries from 2026-03-18

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