(2S)-2-(2,4-Difluorophenyl)-1-(3-{(E)-2-[4-(2,2,3,3-Tetrafluoropropoxy)Phenyl]Vinyl}-1H-1,2,4-Triazol-1-Yl)-3-(1H-1,2,4-Triazol-1-Yl)-2-Propanol

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Properties Simple | Detailed

Formula C24H20F6N6O2
IUPAC Name (2s)-2-(2,4-difluorophenyl)-1-[3-[(e)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]vinyl]-1,2,4-triazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
Molecular Mass 538.445 g·mol−1
Heat of Formation -899.5 ± 16.7 kJ·mol−1
Dipole Moment 3.37 ± 1.08 D
Volume 578.02 Å 3
Surface Area 478.46 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -1.14 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-(2,4-difluorophenyl)-1-[3-[(e)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
  • (2s)-2-(2,4-difluorophenyl)-1-[3-[(e)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]vinyl]-1,2,4-triazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
InChIKey FZEJTXCSLUORDW-UXUAMCOBSA-N
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