4-Fluoro-N-(Trifluoroacetyl)-D-Phenylalanine

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Properties Simple | Detailed

Formula C11H9F4NO3
IUPAC Name (2r)-3-(4-fluorophenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid
Molecular Mass 279.188 g·mol−1
Heat of Formation -1310.9 ± 16.7 kJ·mol−1
Dipole Moment 4.49 ± 1.08 D
Volume 293.15 Å 3
Surface Area 256.26 Å 2
HOMO Energy -9.95 ± 0.55 eV
LUMO Energy 2.60 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-3-(4-fluorophenyl)-2-(2,2,2-trifluoroethanoylamino)propanoic acid
  • (2r)-3-(4-fluorophenyl)-2-[(2,2,2-trifluoro-1-oxoethyl)amino]propanoic acid
  • (2r)-3-(4-fluorophenyl)-2-[(2,2,2-trifluoroacetyl)amino]propionic acid
  • d-phenylalanine, 4-fluoro-n-(trifluoroacetyl)-
  • n-trifluoroacetyl-4-fluorophenylalanine
  • tfa-fpa
CAS Number(s)
  • 37562-59-7
InChIKey OACPVMRRXBOETJ-MRVPVSSYSA-N
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