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

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Properties Simple | Detailed

Formula C18H23FO2
IUPAC Name (8s,9s,13s,14s,17s)-1-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 -601.1 ± 16.7 kJ·mol−1
Dipole Moment 1.82 ± 1.08 D
Volume 351.46 Å 3
Surface Area 295.17 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -0.04 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,13s,14s,17s)-1-fluoro-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
  • 1-fluoroestradiol
  • estra-1,3,5(10)-triene-3,17-diol, 1-fluoro-, (17beta)-
CAS Number(s)
  • 103419-09-6
InChIKey VAYVDUJKHGYLSR-PEEYHIECSA-N
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