2-[(2E)-3,7-Dimethyl-2,6-Octadien-1-Yl]-3-(Trifluoromethyl)-1,4-Naphthoquinone

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Properties Simple | Detailed

Formula C21H21F3O2
IUPAC Name 2-[(2e)-3,7-dimethylocta-2,6-dienyl]-3-(trifluoromethyl)naphthalene-1,4-dione
Molecular Mass 362.385 g·mol−1
Heat of Formation -840.2 ± 16.7 kJ·mol−1
Dipole Moment 5.75 ± 1.08 D
Volume 429.53 Å 3
Surface Area 314.43 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy 1.15 ± eV
Point Group Symmetry C1
Synonyms
  • 1,4-naphthalenedione, 2-(3,7-dimethyl-2,6-octadienyl)-3-(trifluoromethyl)-, (e)-
  • 2-[(2e)-3,7-dimethylocta-2,6-dienyl]-3-(trifluoromethyl)-1,4-naphthoquinone
  • 2-[(2e)-3,7-dimethylocta-2,6-dienyl]-3-(trifluoromethyl)naphthalene-1,4-dione
  • 2-trifluoromethyl-3-geranyl-1,4-naphthoquinone
  • 2-trifluoromethylmenaquinone
CAS Number(s)
  • 119052-96-9
InChIKey AEPNMJWSTKATHF-SDNWHVSQSA-N
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