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Summary
Name:2,2-dimethyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]propanamide
Formula:C14 H18 F3 N O2
Formal charge:0
Formula weight:289.293 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.522,2-dimethyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]propanamide
OpenEye OEToolkits3.1.0.02,2-dimethyl-~{N}-[(2~{S})-3,3,3-tris(fluoranyl)-2-oxidanyl-2-phenyl-propyl]propanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52OC(CNC(=O)C(C)(C)C)(c1ccccc1)C(F)(F)F
InChIInChI1.06InChI=1S/C14H18F3NO2/c1-12(2,3)11(19)18-9-13(20,14(15,16)17)10-7-5-4-6-8-10/h4-8,20H,9H2,1-3H3,(H,18,19)/t13-/m1/s1
InChIKeyInChI1.06JMFKRXZZRZAWTI-CYBMUJFWSA-N
SMILES_CANONICALCACTVS3.385CC(C)(C)C(=O)NC[C@@](O)(c1ccccc1)C(F)(F)F
SMILESCACTVS3.385CC(C)(C)C(=O)NC[C](O)(c1ccccc1)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits3.1.0.0CC(C)(C)C(=O)NC[C@@](c1ccccc1)(C(F)(F)F)O
SMILESOpenEye OEToolkits3.1.0.0CC(C)(C)C(=O)NCC(c1ccccc1)(C(F)(F)F)O

258009

PDB entries from 2026-08-12

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