(17β)-2-Fluoroestra-1(10),2,4-Triene-3,17-Diol

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Properties Simple | Detailed

Formula C18H23FO2
IUPAC Name (8r,9s,13s,14s,17s)-2-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 -600.7 ± 16.7 kJ·mol−1
Dipole Moment 2.90 ± 1.08 D
Volume 350.57 Å 3
Surface Area 294.78 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s,17s)-2-fluoro-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
  • 2-fluoroestradiol
  • estra-1,3,5(10)-triene-3,17-diol, 2-fluoro-, (17beta)-
CAS Number(s)
  • 101021-11-8
  • 16205-32-6
InChIKey HDPXSAXRLVDBIR-XSSYPUMDSA-N
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