(17α)-2-Fluoro-19-Norpregna-1(10),2,4-Trien-20-Yne-3,17-Diol

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Properties Simple | Detailed

Formula C20H23FO2
IUPAC Name (8r,9s,13s,14s,17r)-17-ethynyl-2-fluoro-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-3,17-diol
Molecular Mass 314.394 g·mol−1
Heat of Formation -353.4 ± 16.7 kJ·mol−1
Dipole Moment 4.36 ± 1.08 D
Volume 317.38 Å 3
Surface Area 273.24 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -0.09 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s,17r)-17-ethynyl-2-fluoro-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-3,17-diol
  • 19-norpregna-1,3,5(10)-trien-20-yne-3,17-diol, 2-fluoro-, (17alpha)-
  • 2-fee2
  • 2-fluoro-17-ethynylestradiol
  • 2-fluoro-17alpha-ethynyloestradiol
CAS Number(s)
  • 22165-49-7
InChIKey OYMVHYFNQJXFGQ-BKRJIHRRSA-N
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