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

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Properties Simple | Detailed

Formula C18H23FO3
IUPAC Name (8r,9s,13s,14s,17s)-4-fluoro-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-2,3,17-triol
Molecular Mass 306.372 g·mol−1
Heat of Formation -773.3 ± 16.7 kJ·mol−1
Dipole Moment 3.96 ± 1.08 D
Volume 360.48 Å 3
Surface Area 302.41 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -0.09 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s,17s)-4-fluoro-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-2,3,17-triol
  • 4-fluoro-2-hydroxyestradiol
  • 4f2ohe2
  • estra-1,3,5(10)-triene-2,3,17-triol, 4-fluoro-, (17beta)-
CAS Number(s)
  • 148044-30-8
InChIKey FMHAFUXKLBNHPP-ZICKVNAASA-N
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