4,4-Difluororetinol

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Properties Simple | Detailed

Formula C20H28F2O
IUPAC Name (2e,4e,6e,8e)-9-(3,3-difluoro-2,6,6-trimethyl-cyclohexen-1-yl)-3,7-dimethyl-nona-2,4,6,8-tetraen-1-ol
Molecular Mass 322.433 g·mol−1
Heat of Formation -581.6 ± 16.7 kJ·mol−1
Dipole Moment 4.67 ± 1.08 D
Volume 425.77 Å 3
Surface Area 373.85 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -0.46 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,4e,6e,8e)-9-(3,3-difluoro-2,6,6-trimethyl-1-cyclohexenyl)-3,7-dimethyl-nona-2,4,6,8-tetraen-1-ol
  • (2e,4e,6e,8e)-9-(3,3-difluoro-2,6,6-trimethyl-1-cyclohexenyl)-3,7-dimethylnona-2,4,6,8-tetraen-1-ol
  • 4,4-difluororetinol (all-trans)
InChIKey CCXJNLIAIULEDQ-DAWLFQHYSA-N
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