(1R,2R,4S)-4-[(~18~F)Fluoromethyl]-2-(4-Phenyl-1-Piperidinyl)Cyclohexanol

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Properties Simple | Detailed

Formula C18H26FNO
IUPAC Name (1r,2r,4s)-4-(fluoromethyl)-2-(4-phenyl-1-piperidyl)cyclohexanol
Molecular Mass 290.406 g·mol−1
Heat of Formation -392.5 ± 16.7 kJ·mol−1
Dipole Moment 3.27 ± 1.08 D
Volume 372.75 Å 3
Surface Area 317.4 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy 3.22 ± eV
Point Group Symmetry C1
Synonyms
  • 4-fluoromethylvesamicol
  • moli000085
CAS Number(s)
  • 140703-18-0
InChIKey PRVMMYNTGUPBET-ASSNDDLVSA-N
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Elements H C N O F