6-{(2R,5R)-2-Methyl-5-[(1R)-2,2,2-Trifluoro-1-Hydroxyethyl]-1-Pyrrolidinyl}-4-(Trifluoromethyl)-2(1H)-Quinolinone

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Properties Simple | Detailed

Formula C17H16F6N2O2+
IUPAC Name 6-[(1s,2r,5r)-2-methyl-5-[(1r)-2,2,2-trifluoro-1-hydroxy-ethyl]pyrrolidin-1-yl]-4-(trifluoromethyl)quinolin-2-one
Molecular Mass 394.312 g·mol−1
Heat of Formation -1559.0 ± 16.7 kJ·mol−1
Dipole Moment 3.82 ± 1.08 D
Volume 404.6 Å 3
Surface Area 337.05 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -1.70 ± eV
Point Group Symmetry C1
Synonyms
  • 6-[(2r,5r)-2-methyl-5-[(1r)-2,2,2-trifluoro-1-hydroxy-ethyl]pyrrolidin-1-yl]-4-(trifluoromethyl)-1h-quinolin-2-one
  • 6-[(2r,5r)-2-methyl-5-[(1r)-2,2,2-trifluoro-1-hydroxy-ethyl]pyrrolidin-1-yl]-4-(trifluoromethyl)carbostyril
  • 6-[(2r,5r)-2-methyl-5-[(1r)-2,2,2-trifluoro-1-hydroxyethyl]-1-pyrrolidinyl]-4-(trifluoromethyl)-1h-quinolin-2-one
  • 6-[(2r,5r)-2-methyl-5-[(1r)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]-4-(trifluoromethyl)-1h-quinolin-2-one
InChIKey HWLLYFXDDGGHOE-BCSUUIJWSA-N
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