N-[(2S)-4,4,4-Trifluoro-3,3-Dihydroxy-1-Phenyl-2-Butanyl]Acetamide

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Properties Simple | Detailed

Formula C12H14F3NO3
IUPAC Name n-[(1s)-1-benzyl-3,3,3-trifluoro-2,2-dihydroxy-propyl]acetamide
Molecular Mass 277.240 g·mol−1
Heat of Formation -1211.0 ± 16.7 kJ·mol−1
Dipole Moment 6.10 ± 1.08 D
Volume 305.02 Å 3
Surface Area 262.76 Å 2
HOMO Energy -9.90 ± 0.55 eV
LUMO Energy -0.14 ± eV
Point Group Symmetry C1
Synonyms
  • apf
  • apl
  • n-(1-benzyl-3,3,3-trifluoro-2,2-dihydroxy-propyl)-acetamide
  • n-[(1s)-1-(benzyl)-3,3,3-trifluoro-2,2-dihydroxy-propyl]acetamide
  • n-[(1s)-3,3,3-trifluoro-2,2-dihydroxy-1-(phenylmethyl)propyl]acetamide
  • n-[(2s)-4,4,4-trifluoro-3,3-dihydroxy-1-phenyl-butan-2-yl]ethanamide
  • n-[(2s)-4,4,4-trifluoro-3,3-dihydroxy-1-phenylbutan-2-yl]acetamide
InChIKey NETPVFJEHOGNPJ-JTQLQIEISA-N
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