2-{4-[(1S,3R)-3-(4-Fluorophenyl)-6-(Trifluoromethyl)-2,3-Dihydro-1H-Inden-1-Yl]-1-Piperazinyl}Ethanol

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Formula C22H24F4N2O
IUPAC Name 2-[4-[(1s,3r)-3-(4-fluorophenyl)-6-(trifluoromethyl)indan-1-yl]piperazin-1-yl]ethanol
Molecular Mass 408.432 g·mol−1
Heat of Formation -815.2 ± 16.7 kJ·mol−1
Dipole Moment 3.60 ± 1.08 D
Volume 468.3 Å 3
Surface Area 402.6 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[4-[(1s,3r)-3-(4-fluorophenyl)-6-(trifluoromethyl)-1-indanyl]-1-piperazinyl]ethanol
  • 2-[4-[(1s,3r)-3-(4-fluorophenyl)-6-(trifluoromethyl)-2,3-dihydro-1h-inden-1-yl]piperazin-1-yl]ethanol
  • 2-[4-[(1s,3r)-3-(4-fluorophenyl)-6-(trifluoromethyl)indan-1-yl]piperazin-1-yl]ethanol
  • lu-18012
InChIKey JSBWGXQXCRYYTG-CTNGQTDRSA-N
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