Methyl (1R,2R,3S,5S)-3-[(4-Fluorobenzoyl)Oxy]-8-Methyl-8-Azabicyclo[3.2.1]Octane-2-Carboxylate

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Properties Simple | Detailed

Formula C17H20FNO4
IUPAC Name methyl (1r,2r,3s,5s)-3-(4-fluorobenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Molecular Mass 321.343 g·mol−1
Heat of Formation -813.7 ± 16.7 kJ·mol−1
Dipole Moment 4.06 ± 1.08 D
Volume 376.7 Å 3
Surface Area 320.68 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r,3s,5s)-3-(4-fluorobenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester
  • (1r,2r,3s,5s)-3-[(4-fluorophenyl)-oxomethoxy]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester
  • 4'-fluorococaine
  • 8-azabicyclo(3.2.1)octane-2-carboxylic acid, 3-((4-fluorobenzoyl)oxy)-8-methyl-, methyl ester, (1r-(exo,exo))-
  • methyl (1r,2r,3s,5s)-3-(4-fluorobenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
  • methyl (1r,2r,3s,5s)-3-(4-fluorophenyl)carbonyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CAS Number(s)
  • 134507-62-3
InChIKey JRPRINGETIYVSV-LJISPDSOSA-N
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