Methyl (1R,2S,3S,5S)-8-(3-Fluoropropyl)-3-[4-(~123~I)Iodophenyl]-8-Azabicyclo[3.2.1]Octane-2-Carboxylate

Molecule SVG Image

Properties Simple | Detailed

Formula C18H23FINO2
IUPAC Name methyl (1r,2s,3s,5s)-8-(3-fluoropropyl)-3-(4-(123i)iodanylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
Molecular Mass 427.285 g·mol−1
Heat of Formation -426.7 ± 16.7 kJ·mol−1
Dipole Moment 5.86 ± 1.08 D
Volume 425.23 Å 3
Surface Area 355.62 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy 2.90 ± eV
Point Group Symmetry C1
Synonyms
  • ioflupane (
  • methyl 8-(3-fluoropropyl)-3beta-(p-iodo-i(sup 123)-phenyl)-1alphah, 5alphah-nortropane-2beta-carboxylate.
CAS Number(s)
  • 155798-07-5
InChIKey HXWLAJVUJSVENX-HFIFKADTSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F I H O N