(2R)-2-(2,4-Difluorophenyl)-1-(3-{(Z)-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 (2r)-2-(2,4-difluorophenyl)-1-[3-[(z)-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 -872.3 ± 16.7 kJ·mol−1
Dipole Moment 1.62 ± 1.08 D
Volume 573.6 Å 3
Surface Area 480.5 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-(2,4-difluorophenyl)-1-[3-[(z)-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
  • (2r)-2-(2,4-difluorophenyl)-1-[3-[(z)-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
  • 1h-1,2,4-triazole-1-ethanol, alpha-(2,4-difluorophenyl)-3-(2-(4-(2,2,3,3-tetrafluoropropoxy)phenyl)ethenyl)-alpha-(1h-1,2,4-triazol-1-ylmethyl)-
  • 2-(2,4-difluorophenyl)-1-(3-(4-(2,2,3,3-tetrafluoropropoxy)styryl)-1,2,4-triazol-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol
  • d 0870
  • d-0870
  • d0870
  • do870
  • ici 195,739
  • ici 195739
CAS Number(s)
  • 103961-78-0
InChIKey FZEJTXCSLUORDW-BGLDCGIESA-N
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