1-(3-(6-Fluoro-2-(Trifluoromethyl)Thioxanthen-9-Ylidene)Propyl)-4-Piperidineethanol

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Properties Simple | Detailed

Formula C24H25F4NOS
IUPAC Name 2-[1-[(3z)-3-[6-fluoro-2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]-4-piperidyl]ethanol
Molecular Mass 451.520 g·mol−1
Heat of Formation -860.6 ± 16.7 kJ·mol−1
Dipole Moment 4.54 ± 1.08 D
Volume 515.33 Å 3
Surface Area 434.99 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[1-[(3z)-3-[6-fluoro-2-(trifluoromethyl)-9-thioxanthenylidene]propyl]-4-piperidinyl]ethanol
  • 2-[1-[(3z)-3-[6-fluoro-2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]-4-piperidyl]ethanol
  • 2-[1-[(3z)-3-[6-fluoro-2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperidin-4-yl]ethanol
  • 4-piperidineethanol, 1-(3-(6-fluoro-2-(trifluoromethyl)-9h-thioxanthen-9-ylidene)propyl)-, (z)-
  • lu 12-331
CAS Number(s)
  • 60756-96-9
InChIKey CCUOZZURYIZOKX-UYKKPYKBSA-N
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