19,19-Difluoroandrost-4-En-17-One

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Properties Simple | Detailed

Formula C19H26F2O
IUPAC Name (8s,9s,10s,13s,14s)-10-(difluoromethyl)-13-methyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
Molecular Mass 308.406 g·mol−1
Heat of Formation -685.5 ± 16.7 kJ·mol−1
Dipole Moment 2.23 ± 1.08 D
Volume 374.25 Å 3
Surface Area 297.35 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy 0.98 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10s,13s,14s)-10-(difluoromethyl)-13-methyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
  • 19,19-dfao
  • 19,19-difluoroandrost-en-17-one
  • androst-4-en-17-one, 19,19-difluoro-
  • androst-en-17-one, 19,19-difluoro-
CAS Number(s)
  • 129400-04-0
InChIKey KMFWEHJTLFYKGK-UNTXSKPGSA-N
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