2,2-Difluoro-N-{(1R,2S)-3-Fluoro-1-Hydroxy-1-[4-(Methylsulfonyl)Phenyl]-2-Propanyl}Acetamide

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Properties Simple | Detailed

Formula C12H14F3NO4S
IUPAC Name 2,2-difluoro-n-[(1s,2r)-1-(fluoromethyl)-2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]acetamide
Molecular Mass 325.304 g·mol−1
Heat of Formation -1209.9 ± 16.7 kJ·mol−1
Dipole Moment 4.95 ± 1.08 D
Volume 343.58 Å 3
Surface Area 304.95 Å 2
HOMO Energy -10.37 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • 2,2-difluoro-n-[(1r,2s)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide
  • 2,2-difluoro-n-[(1r,2s)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]ethanamide
  • 2,2-difluoro-n-[(1s,2r)-1-(fluoromethyl)-2-hydroxy-2-(4-mesylphenyl)ethyl]acetamide
  • 2,2-difluoro-n-[(1s,2r)-1-(fluoromethyl)-2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]acetamide
InChIKey KPIOOHZQMFRXOY-NXEZZACHSA-N
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