1-Cyclohexyl-1-(4-Fluorophenyl)-4-(1-Piperidinyl)-2-Butyn-1-Ol

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Properties Simple | Detailed

Formula C21H28FNO
IUPAC Name (1r)-1-cyclohexyl-1-(4-fluorophenyl)-4-(1-piperidyl)but-2-yn-1-ol
Molecular Mass 329.452 g·mol−1
Heat of Formation -186.3 ± 16.7 kJ·mol−1
Dipole Moment 3.44 ± 1.08 D
Volume 425.48 Å 3
Surface Area 358.88 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.09 ± eV
Point Group Symmetry C1
InChIKey XXQIFONNLHEHLF-OAQYLSRUSA-N
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Elements H C N O F