(9Cis,13Cis)-4,4-Difluororetinol

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Formula C20H28F2O
IUPAC Name (2z,4e,6z,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 -579.0 ± 16.7 kJ·mol−1
Dipole Moment 5.25 ± 1.08 D
Volume 432.95 Å 3
Surface Area 363.92 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -0.26 ± eV
Point Group Symmetry C1
Synonyms
  • (2z,4e,6z,8e)-9-(3,3-difluoro-2,6,6-trimethyl-1-cyclohexenyl)-3,7-dimethyl-nona-2,4,6,8-tetraen-1-ol
  • (2z,4e,6z,8e)-9-(3,3-difluoro-2,6,6-trimethyl-1-cyclohexenyl)-3,7-dimethylnona-2,4,6,8-tetraen-1-ol
  • 4,4-difluororetinol
  • 4,4-difluororetinyl acetate
  • trans-4,4-difluororetinyl acetate
CAS Number(s)
  • 90660-21-2
  • 90660-22-3
InChIKey CCXJNLIAIULEDQ-SQBKUCFKSA-N
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