N-[(2S)-1-Oxo-3-Phenyl-2-Propanyl]-N~2~-(Trifluoroacetyl)-L-Alaninamide

Molecule SVG Image

Properties Simple | Detailed

Formula C14H15F3N2O3
IUPAC Name (2s)-n-[(1s)-1-benzyl-2-oxo-ethyl]-2-[(2,2,2-trifluoroacetyl)amino]propanamide
Molecular Mass 316.276 g·mol−1
Heat of Formation -1070.0 ± 16.7 kJ·mol−1
Dipole Moment 4.20 ± 1.08 D
Volume 363.51 Å 3
Surface Area 304.59 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy -0.09 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-[(1s)-1-(benzyl)-2-keto-ethyl]-2-[(2,2,2-trifluoroacetyl)amino]propionamide
  • (2s)-n-[(1s)-1-formyl-2-phenyl-ethyl]-2-[(2,2,2-trifluoroacetyl)amino]propanamide
  • (2s)-n-[(1s)-1-formyl-2-phenylethyl]-2-[(2,2,2-trifluoro-1-oxoethyl)amino]propanamide
  • (2s)-n-[(2s)-1-oxo-3-phenyl-propan-2-yl]-2-(2,2,2-trifluoroethanoylamino)propanamide
  • (2s)-n-[(2s)-1-oxo-3-phenylpropan-2-yl]-2-[(2,2,2-trifluoroacetyl)amino]propanamide
  • n-trifluoroacetyl-ala-phe-aldehyde
  • n-trifluoroacetyl-l-alanyl-l-phenylalaninal
  • n-trifluoroacetylalanylphenylalaninal
  • propanamide, n-(1-formyl-2-phenylethyl)-2-((trifluoroacetyl)amino)-, (s-(r*,r*))-
  • tfaapa
CAS Number(s)
  • 73488-89-8
InChIKey VXAHAUXVUCBTKF-ONGXEEELSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F