Difluoropine

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Properties Simple | Detailed

Formula C23H25F2NO3
IUPAC Name methyl (1r,3s,4s,5s,8r)-3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
Molecular Mass 401.446 g·mol−1
Heat of Formation -749.0 ± 16.7 kJ·mol−1
Dipole Moment 2.93 ± 1.08 D
Volume 477.91 Å 3
Surface Area 387.72 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2s,3s,5r)-3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester
  • 2-carbomethoxy-3-(bis(4-fluorophenyl)methoxy)tropane
  • methyl (1s,2s,3s,5r)-3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
  • o 620
  • o-620
CAS Number(s)
  • 156774-35-5
InChIKey XSYGBVSQKPLETJ-ANULTFPQSA-N
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