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

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Properties Simple | Detailed

Formula C25H29FIN3O2
IUPAC Name (1s)-8-[4-(4-fluorophenyl)-4-oxo-butyl]-3-(2-iodoethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Molecular Mass 549.420 g·mol−1
Heat of Formation -276.9 ± 16.7 kJ·mol−1
Dipole Moment 2.95 ± 1.08 D
Volume 553.85 Å 3
Surface Area 433.95 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3,8-triazaspiro(4.5)decan-4-one, 8-(4-(4-fluorophenyl)-4-oxobutyl)-3-(2-(iodo-125i)ethyl)-1-phenyl-
  • 125i-ies
  • 8-(4-(4-fluorophenyl)-4-oxobutyl)-1-phenyl-3-(2-iodoethyl)-1,3,8-triazaspiro(4,5)decan-4-one
  • 8-(4-(4-fluorophenyl)-4-oxobutyl)-3-(2-(iodo-125i)ethyl)-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-one
  • 8-[4-(4-fluorophenyl)-4-keto-butyl]-3-(2-iodoethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
  • 8-[4-(4-fluorophenyl)-4-oxo-butyl]-3-(2-iodoethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
  • iodoethylspiperone
CAS Number(s)
  • 130482-21-2
InChIKey RXMOSTORZPJKLO-UHFFFAOYSA-N
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