2,2,2-Trifluoroethyl 1H-Imidazole-1-Carboxylate

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Properties Simple | Detailed

Formula C6H5F3N2O2
IUPAC Name 2,2,2-trifluoroethyl 4h-imidazol-3-ium-4-ylium-3-carboxylate
Molecular Mass 194.111 g·mol−1
Heat of Formation -845.7 ± 16.7 kJ·mol−1
Dipole Moment 1.95 ± 1.08 D
Volume 194.55 Å 3
Surface Area 194.28 Å 2
HOMO Energy -10.26 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-imidazolecarboxylic acid 2,2,2-trifluoroethyl ester
  • 1h-imidazole-1-carboxylic acid, 2,2,2-trifluoroethyl ester
  • 2,2,2-tfi
  • 2,2,2-trifluoroethyl imidazole-1-carboxylate
  • imidazole-1-carboxylic acid 2,2,2-trifluoroethyl ester
  • n-(2,2,2-trifluoroethoxycarbonyl)imidazole
CAS Number(s)
  • 81265-32-9
InChIKey VHSLGTPKFRBITL-UHFFFAOYSA-N
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