4,4'-[(2R,3S)-1-Fluoro-2,3-Pentanediyl]Diphenol

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Properties Simple | Detailed

Formula C17H19FO2
IUPAC Name 4-[(1s,2r)-1-ethyl-3-fluoro-2-(4-hydroxyphenyl)propyl]phenol
Molecular Mass 274.330 g·mol−1
Heat of Formation -466.1 ± 16.7 kJ·mol−1
Dipole Moment 3.75 ± 1.08 D
Volume 342.81 Å 3
Surface Area 296.75 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
Synonyms
  • 1-fluoro-2,3-bis(4-hydroxyphenyl)pentane
  • 1-fluoronorhexestrol
  • 1-fluoropentestrol
  • 4-[(1s,2r)-1-ethyl-3-fluoro-2-(4-hydroxyphenyl)propyl]phenol
  • 4-[(2r,3s)-1-fluoro-2-(4-hydroxyphenyl)pentan-3-yl]phenol
  • phenol, 4,4'-(1-ethyl-2-(fluoromethyl)-1,2-ethanediyl)bis-, (r*,s*)-
CAS Number(s)
  • 83303-93-9
InChIKey ZGFBTQKUHZZJOK-SJORKVTESA-N
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