1,1,1,7,7,7-Hexafluoro-2,6-Bis(Trifluoromethyl)-2,5-Heptadien-4-One

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Properties Simple | Detailed

Formula C9H2F12O
IUPAC Name 1,1,1,7,7,7-hexafluoro-2,6-bis(trifluoromethyl)hepta-2,5-dien-4-one
Molecular Mass 354.092 g·mol−1
Heat of Formation -2620.0 ± 16.7 kJ·mol−1
Dipole Moment 3.73 ± 1.08 D
Volume 287.85 Å 3
Surface Area 262.13 Å 2
HOMO Energy -11.97 ± 0.55 eV
LUMO Energy 0.17 ± eV
Point Group Symmetry C2v
Synonyms
  • 2,5-heptadien-4-one, 1,1,1,7,7,7-hexafluoro-2,6-bis(trifluoromethyl)-
  • bis(hexafluoroacetonyl)acetone
CAS Number(s)
  • 30902-53-5
InChIKey JEFPMSDXBFUICL-UHFFFAOYSA-N
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