3-(2-Fluoroethyl)-8-[4-(4-Fluorophenyl)-4-Oxobutyl]-1-Phenyl-1,3,8-Triazaspiro[4.5]Decan-4-One

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Formula C25H29F2N3O2
IUPAC Name (1r)-3-(2-fluoroethyl)-8-[4-(4-fluorophenyl)-4-oxo-butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Molecular Mass 441.513 g·mol−1
Heat of Formation -507.2 ± 16.7 kJ·mol−1
Dipole Moment 5.71 ± 1.08 D
Volume 525.81 Å 3
Surface Area 411.49 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3,8-triazaspiro(4.5)decan-4-one, 3-(2-fluoroethyl)-8-(4-(4-fluorophenyl)-4-oxobutyl)-1-phenyl-
  • 3-(2'-fluoroethyl)spiperone
  • 3-(2-fluoroethyl)-8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
  • 3-(2-fluoroethyl)-8-[4-(4-fluorophenyl)-4-oxo-butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
  • 3-n-(2-fluoroethyl)spiperone
  • fesp
CAS Number(s)
  • 106114-42-5
InChIKey MNARAEXGMVEFDO-UHFFFAOYSA-N
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