(S)-[3,6-Bis(Trifluoromethyl)-9-Phenanthryl][(2R)-2-Piperidinyl]Methanol

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Properties Simple | Detailed

Formula C22H19F6NO
IUPAC Name (s)-[3,6-bis(trifluoromethyl)-9-phenanthryl]-[(2r)-2-piperidyl]methanol
Molecular Mass 427.383 g·mol−1
Heat of Formation -1339.0 ± 16.7 kJ·mol−1
Dipole Moment 6.44 ± 1.08 D
Volume 451.72 Å 3
Surface Area 387.15 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy -1.60 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-erythro-[3,6-bis(trifluoromethyl)-phenanthren-9-yl]-piperidin-2-yl-methanol
  • (s)-[3,6-bis(trifluoromethyl)-9-phenanthryl]-[(2r)-2-piperidinyl]methanol
  • (s)-[3,6-bis(trifluoromethyl)-9-phenanthryl]-[(2r)-2-piperidyl]methanol
  • (s)-[3,6-bis(trifluoromethyl)phenanthren-9-yl]-[(2r)-piperidin-2-yl]methanol
  • rti1164-1-1
InChIKey FVVWTCZWVDUHPH-UXHICEINSA-N
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Elements H C N O F