N~2~-[4-Cyano-3-(Trifluoromethyl)Phenyl]-N,N-Dimethyl-N~2~-(2,2,2-Trifluoroethyl)-L-Alaninamide

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Properties Simple | Detailed

Formula C15H15F6N3O
IUPAC Name (2s)-2-[4-cyano-n-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)anilino]-n,n-dimethyl-propanamide
Molecular Mass 367.290 g·mol−1
Heat of Formation -1288.8 ± 16.7 kJ·mol−1
Dipole Moment 10.73 ± 1.08 D
Volume 386.06 Å 3
Surface Area 323.91 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy 1.78 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-cyano-3-(trifluoromethyl)phenyl]-(2,2,2-trifluoroethyl)amino]-n,n-dimethyl-propanamide
  • (2s)-2-[[4-cyano-3-(trifluoromethyl)phenyl]-(2,2,2-trifluoroethyl)amino]-n,n-dimethyl-propionamide
  • (2s)-2-[[4-cyano-3-(trifluoromethyl)phenyl]-(2,2,2-trifluoroethyl)amino]-n,n-dimethylpropanamide
InChIKey BEFAEFLFXOZVJY-VIFPVBQESA-N
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