α-(Fluoromethyl)-L-Histidine

Molecule SVG Image

Properties Simple | Detailed

Formula C7H10FN3O2
IUPAC Name (2s)-2-amino-2-(fluoromethyl)-3-imidazol-3-ium-4-ylium-4-yl-propanoic acid
Molecular Mass 187.172 g·mol−1
Heat of Formation -440.2 ± 16.7 kJ·mol−1
Dipole Moment 2.82 ± 1.08 D
Volume 211.35 Å 3
Surface Area 195.12 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy 0.25 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-2-(fluoromethyl)-3-(3h-imidazol-4-yl)propanoic acid
  • (2s)-2-amino-2-(fluoromethyl)-3-(3h-imidazol-4-yl)propionic acid
CAS Number(s)
  • 73804-75-8
InChIKey AJFGLTPLWPTALJ-SSDOTTSWSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F