S-(2,2-Dichloro-1,1-Difluoroethyl)-L-Cysteine

Molecule SVG Image

Properties Simple | Detailed

Formula C5H7Cl2F2NO2S
IUPAC Name (2r)-2-amino-3-(2,2-dichloro-1,1-difluoro-ethyl)sulfanyl-propanoic acid
Molecular Mass 254.082 g·mol−1
Heat of Formation -851.1 ± 16.7 kJ·mol−1
Dipole Moment 3.08 ± 1.08 D
Volume 242.23 Å 3
Surface Area 227.83 Å 2
HOMO Energy -9.77 ± 0.55 eV
LUMO Energy -1.25 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-amino-3-(2,2-dichloro-1,1-difluoro-ethyl)sulfanyl-propanoic acid
  • (2r)-2-amino-3-(2,2-dichloro-1,1-difluoroethyl)sulfanylpropanoic acid
  • (2r)-2-amino-3-[(2,2-dichloro-1,1-difluoro-ethyl)thio]propionic acid
  • (2r)-2-amino-3-[(2,2-dichloro-1,1-difluoroethyl)thio]propanoic acid
  • s-(2,2-dichloro-1,1-difluoroethyl)cysteine
CAS Number(s)
  • 124076-67-1
InChIKey ILJRPHVFFPPMOZ-REOHCLBHSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H Cl O N S