Methyl (1R,2S,3S,5S)-3-(4-Fluorophenyl)-8-[(2E)-3-Iodo-2-Propen-1-Yl]-8-Azabicyclo[3.2.1]Octane-2-Carboxylate

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Properties Simple | Detailed

Formula C18H21FINO2
IUPAC Name methyl (1r,2s,3s,5s)-3-(4-fluorophenyl)-8-[(e)-3-iodoallyl]-8-azabicyclo[3.2.1]octane-2-carboxylate
Molecular Mass 429.268 g·mol−1
Heat of Formation -341.8 ± 16.7 kJ·mol−1
Dipole Moment 5.55 ± 1.08 D
Volume 414.27 Å 3
Surface Area 338.18 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -0.11 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2s,3s,5s)-3-(4-fluorophenyl)-8-[(e)-3-iodoprop-2-enyl]-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester
  • 2beta-carbomethoxy-3beta-(4-fluorophenyl)-n-(3-iodo-e-allyl)nortropane
  • 8-azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(4-fluorophenyl)-8-((2e)-3-iodo-2-propenyl)-, methyl ester, (1r,2s,3s,5s)-
  • 8-azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(4-fluorophenyl)-8-(3-iodo-2-propenyl)-, methyl ester, (1r-(1alpha,2alpha,3alpha,5alpha,8(e)))-
  • altropane
  • methyl (1r,2s,3s,5s)-3-(4-fluorophenyl)-8-[(e)-3-iodoprop-2-enyl]-8-azabicyclo[3.2.1]octane-2-carboxylate
CAS Number(s)
  • 180468-34-2
InChIKey GTQLIPQFXVKRKJ-UNSMHXHVSA-N
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