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

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Properties Simple | Detailed

Formula C22H19F5N2O4
IUPAC Name tert-butyl n-[(e,1r)-3-cyano-2-hydroxy-1-[(4-hydroxyphenyl)methyl]-3-(2,3,4,5,6-pentafluorophenyl)allyl]carbamate
Molecular Mass 470.389 g·mol−1
Heat of Formation -1419.8 ± 16.7 kJ·mol−1
Dipole Moment 8.36 ± 1.08 D
Volume 516.58 Å 3
Surface Area 412.78 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -1.15 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(tert-butoxycarbonylamino)-3-hydroxy-5-(4-hydroxy-phenyl)-2-(pentafluorophenyl)-2-pentenenitrile
  • n-[(e,1r)-3-cyano-2-hydroxy-1-(4-hydroxybenzyl)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enyl]carbamic acid tert-butyl ester
  • n-[(e,1r)-3-cyano-2-hydroxy-1-[(4-hydroxyphenyl)methyl]-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enyl]carbamic acid tert-butyl ester
  • tert-butyl n-[(e,1r)-3-cyano-2-hydroxy-1-[(4-hydroxyphenyl)methyl]-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enyl]carbamate
  • tert-butyl n-[(e,2r)-4-cyano-3-hydroxy-1-(4-hydroxyphenyl)-4-(2,3,4,5,6-pentafluorophenyl)but-3-en-2-yl]carbamate
  • vs-261
InChIKey LCEIXSJAVRCMAW-UAAGNOOKSA-N
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