(2S)-2-Ammonio-4,4,4-Trifluoro-3-(Trifluoromethyl)Butanoate

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Properties Simple | Detailed

Formula C5H5F6NO2
IUPAC Name (2s)-2-amino-4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid
Molecular Mass 225.089 g·mol−1
Heat of Formation -1707.5 ± 16.7 kJ·mol−1
Dipole Moment 3.49 ± 1.08 D
Volume 199.62 Å 3
Surface Area 184.18 Å 2
HOMO Energy -10.63 ± 0.55 eV
LUMO Energy 2.98 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-ammonio-4,4,4-trifluoro-3-(trifluoromethyl)butyrate
  • (2s)-2-azaniumyl-4,4,4-trifluoro-3-(trifluoromethyl)butanoate
InChIKey KRNSHCKTGFAMPQ-SFOWXEAESA-N
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Elements H C N O F