(2S)-N-(4-Benzoylphenyl)-3,3,3-Trifluoro-2-Hydroxy-2-Methylpropanamide

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Properties Simple | Detailed

Formula C17H14F3NO3
IUPAC Name (2s)-n-(4-benzoylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methyl-propanamide
Molecular Mass 337.293 g·mol−1
Heat of Formation -990.3 ± 16.7 kJ·mol−1
Dipole Moment 5.72 ± 1.08 D
Volume 364.92 Å 3
Surface Area 329.31 Å 2
HOMO Energy -9.52 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-3,3,3-trifluoro-2-hydroxy-2-methyl-n-(4-phenylcarbonylphenyl)propanamide
  • (2s)-3,3,3-trifluoro-2-hydroxy-2-methyl-n-[4-(oxo-phenylmethyl)phenyl]propanamide
  • (2s)-n-[4-(benzoyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methyl-propanamide
  • (2s)-n-[4-(benzoyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methyl-propionamide
  • (2s)-n-[4-(benzoyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CAS Number(s)
  • 147696-46-6
InChIKey LVEDGSIMCSQNNX-INIZCTEOSA-N
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