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

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Properties Simple | Detailed

Formula C18H16F6N2O2
IUPAC Name 3,7-bis[3-(trifluoromethyl)phenyl]-1,5,3,7-dioxadiazocane
Molecular Mass 406.322 g·mol−1
Heat of Formation -1475.7 ± 16.7 kJ·mol−1
Dipole Moment 7.06 ± 1.08 D
Volume 418.34 Å 3
Surface Area 317.02 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
Synonyms
  • 2h,6h-1,5,3,7-dioxadiazocine, tetrahydro-3,7-bis(3-(trifluoromethyl)phenyl)-
  • 3,7-bis(3-trifluoromethylphenyl)-1,5,3,7-dioxadiazocane
  • 3-tfmpd
  • tetrahydro-3,7-bis(3-(trifluoromethyl)phenyl)-2h,6h-1,5,3,7-dioxadiazocine
CAS Number(s)
  • 77767-14-7
InChIKey ILMLZSQPKFZPLQ-UHFFFAOYSA-N
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