3,7-Bis[4-(Trifluoromethyl)Phenyl]-1,5,3,7-Dioxadiazocane

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Properties Simple | Detailed

Formula C18H16F6N2O2
IUPAC Name 3,7-bis[4-(trifluoromethyl)phenyl]-1,5,3,7-dioxadiazocane
Molecular Mass 406.322 g·mol−1
Heat of Formation -1483.6 ± 16.7 kJ·mol−1
Dipole Moment 11.11 ± 1.08 D
Volume 415.87 Å 3
Surface Area 314.56 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
Synonyms
  • 2h,6h-1,5,3,7-dioxadiazocine, tetrahydro-3,7-bis(4-(trifluoromethyl)phenyl)-
  • 3,7-bis-(4-trifluoromethylphenyl)-1,5,3,7-dioxadiazocane
  • tetrahydro-3,7-bis(4-(trifluoromethyl)phenyl)-2h,6h-1,5,3,7-dioxadiazocine
CAS Number(s)
  • 77767-16-9
InChIKey UBIWNRIKGVTTKH-UHFFFAOYSA-N
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