(16β,17β)-16-Fluoroestra-1,3,5(10)-Triene-3,17-Diol

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Properties Simple | Detailed

Formula C18H23FO2
IUPAC Name (8r,9s,13s,14s,16s,17r)-16-fluoro-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Molecular Mass 290.372 g·mol−1
Heat of Formation -609.7 ± 16.7 kJ·mol−1
Dipole Moment 2.08 ± 1.08 D
Volume 350.87 Å 3
Surface Area 292.39 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy 0.11 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s,16s,17r)-16-fluoro-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
  • 16-fluoroestradiol
  • 16alpha-(18)-fluoro-17beta-estradiol
  • 16alpha-fluoroestradiol
  • 16beta-fluoroestradiol
  • estra-1,3,5(10)-triene-3,17-diol, 16-fluoro-, (16beta,17beta)-
  • f-18 16alpha-fluoroestradiol
CAS Number(s)
  • 84693-92-5
InChIKey KDLLNMRYZGUVMA-ZMSHIADSSA-N
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