2-Methyl-2-Propanyl [(2R,3E)-4-Cyano-3-Hydroxy-4-(Pentafluorophenyl)-1-Phenyl-3-Buten-2-Yl]Carbamate

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Properties Simple | Detailed

Formula C22H19F5N2O3
IUPAC Name tert-butyl n-[(e,1r)-1-benzyl-3-cyano-2-hydroxy-3-(2,3,4,5,6-pentafluorophenyl)allyl]carbamate
Molecular Mass 454.390 g·mol−1
Heat of Formation -1226.7 ± 16.7 kJ·mol−1
Dipole Moment 7.86 ± 1.08 D
Volume 508.01 Å 3
Surface Area 402.74 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(tert-butoxycarbonylamino)-3-hydroxy-5-phenyl-2-(pentafluorophenyl)-2-pentenenitrile
  • n-[(e,1r)-1-(benzyl)-3-cyano-2-hydroxy-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enyl]carbamic acid tert-butyl ester
  • n-[(e,1r)-3-cyano-2-hydroxy-3-(2,3,4,5,6-pentafluorophenyl)-1-(phenylmethyl)prop-2-enyl]carbamic acid tert-butyl ester
  • tert-butyl n-[(e,1r)-3-cyano-2-hydroxy-3-(2,3,4,5,6-pentafluorophenyl)-1-(phenylmethyl)prop-2-enyl]carbamate
  • tert-butyl n-[(e,2r)-4-cyano-3-hydroxy-4-(2,3,4,5,6-pentafluorophenyl)-1-phenyl-but-3-en-2-yl]carbamate
  • tert-butyl n-[(e,2r)-4-cyano-3-hydroxy-4-(2,3,4,5,6-pentafluorophenyl)-1-phenylbut-3-en-2-yl]carbamate
  • vs-215
InChIKey ROOWYOSIJSFYCN-UAAGNOOKSA-N
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