2-Fluoro-4-[(3R,4S)-4-(4-Hydroxyphenyl)-3-Hexanyl]Phenol

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Properties Simple | Detailed

Formula C18H21FO2
IUPAC Name 4-[(1r,2s)-1-ethyl-2-(4-hydroxyphenyl)butyl]-2-fluoro-phenol
Molecular Mass 288.357 g·mol−1
Heat of Formation -505.4 ± 16.7 kJ·mol−1
Dipole Moment 1.51 ± 1.08 D
Volume 365.39 Å 3
Surface Area 312.66 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
Synonyms
  • 2-fluorohexestrol
  • 4-[(1r,2s)-1-ethyl-2-(4-hydroxyphenyl)butyl]-2-fluoro-phenol
  • 4-[(1r,2s)-1-ethyl-2-(4-hydroxyphenyl)butyl]-2-fluorophenol
  • ortho-fluorohexestrol
  • phenol, 4-(1-ethyl-2-(4-hydroxyphenyl)butyl)-2-fluoro-, (r*,s*)-
CAS Number(s)
  • 5459-27-8
InChIKey ILINIAJBGBCWBF-CVEARBPZSA-N
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