Win 35428

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Properties Simple | Detailed

Formula C16H20FNO2
IUPAC Name methyl (1s,3s,4s,5r,8s)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
Molecular Mass 277.334 g·mol−1
Heat of Formation -473.7 ± 16.7 kJ·mol−1
Dipole Moment 4.19 ± 1.08 D
Volume 337.39 Å 3
Surface Area 279.76 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy 2.96 ± eV
Point Group Symmetry C1
Synonyms
  • (1r-(exo,exo))-3-(4-fluorophenyl)-8-methyl-8-azabicyclo(3.2.1)octane-2-carboxylic acid, methyl ester
  • (3h)2-carbomethoxy-3-(4-fluorophenyl)tropane
  • 2-carbomethoxy-3-(4-fluorophenyl)tropane
  • 2-cft
  • 2-cmft
  • 8-azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(4-fluorophenyl)-8-methyl-, methyl ester, (1r,2s,3s,5s)-
  • 8-azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(4-fluorophenyl)-8-methyl-, methyl ester, (1r,2s,3s,5s)-
  • beta-cft
  • pdsp2_001576
  • win 35,428
CAS Number(s)
  • 50370-56-4
InChIKey QUSLQENMLDRCTO-YJNKXOJESA-N
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