1-{3-[3,5-Bis(Trifluormethyl)Phenyl]Prop-2-In-1-Yl}-4-Tert-Butylpiperidin

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Properties Simple | Detailed

Formula C20H23F6N
IUPAC Name 1-[3-[3,5-bis(trifluoromethyl)phenyl]prop-2-ynyl]-4-tert-butyl-piperidine
Molecular Mass 391.394 g·mol−1
Heat of Formation -1121.4 ± 16.7 kJ·mol−1
Dipole Moment 5.67 ± 1.08 D
Volume 445.45 Å 3
Surface Area 397.02 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -1.25 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(3-(3,5-bis(trifluoromethyl)phenyl)-2-propynyl)-4-(1,1-dimethylethyl)piperidine
  • 1-[3-[3,5-bis(trifluoromethyl)phenyl]prop-2-ynyl]-4-tert-butylpiperidine
  • flupropadine
  • piperidine, 1-(3-(3,5-bis(trifluoromethyl)phenyl)-2-propynyl)-4-(1,1-dimethylethyl)-
CAS Number(s)
  • 81613-59-4
InChIKey KCVJZJNNTBOLKH-UHFFFAOYSA-N
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Elements H C N F