Methyl (1R,2S,3S,5S)-8-(3-Fluoropropyl)-3-(4-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-iodophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
Molecular Mass 431.284 g·mol−1
Heat of Formation -429.2 ± 16.7 kJ·mol−1
Dipole Moment 3.55 ± 1.08 D
Volume 422.67 Å 3
Surface Area 344.87 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -0.17 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2s,3s,5s)-8-(3-fluoropropyl)-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester
InChIKey HXWLAJVUJSVENX-HZMVEIRTSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F I H O N