Tert-Butyl (3R)-3-({[(5R)-5-(1,1,1,3,3,3-Hexafluoro-2-Hydroxypropan-2-Yl)-4,5-Dihydro-1,2-Oxazol-3-Yl]Carbonyl}Amino)Butanoate

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Formula C15H20F6N2O5
IUPAC Name tert-butyl (3r)-3-[[(5r)-5-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-4,5-dihydroisoxazole-3-carbonyl]amino]butanoate
Molecular Mass 422.320 g·mol−1
Heat of Formation -2154.4 ± 16.7 kJ·mol−1
Dipole Moment 6.26 ± 1.08 D
Volume 451.49 Å 3
Surface Area 360.79 Å 2
HOMO Energy -10.22 ± 0.55 eV
LUMO Energy -0.22 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-3-[[(5r)-5-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]4,5-dihydroisoxazole-3-carbonyl]amino]butyric acid tert-butyl ester
  • (3r)-3-[[oxo-[(5r)-5-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-4,5-dihydroisoxazol-3-yl]methyl]amino]butanoic acid tert-butyl ester
  • tert-butyl (3r)-3-[[(5r)-5-(1,1,1,3,3,3-hexafluoro-2-hydroxy-propan-2-yl)-4,5-dihydro-1,2-oxazol-3-yl]carbonylamino]butanoate
  • tert-butyl (3r)-3-[[(5r)-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)4,5-dihydro-1,2-oxazole-3-carbonyl]amino]butanoate
  • tert-butyl (3r)-3-[[(5r)-5-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]4,5-dihydroisoxazole-3-carbonyl]amino]butanoate
InChIKey SBPVPWWNQIKSKL-VXNVDRBHSA-N
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