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

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Properties Simple | Detailed

Formula C7H9Cl2F2NO3S
IUPAC Name (2r)-2-acetamido-3-(1,1-dichloro-2,2-difluoro-ethyl)sulfanyl-propanoic acid
Molecular Mass 296.119 g·mol−1
Heat of Formation -1065.8 ± 16.7 kJ·mol−1
Dipole Moment 4.09 ± 1.08 D
Volume 282.33 Å 3
Surface Area 249.63 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy -1.12 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-acetamido-3-(1,1-dichloro-2,2-difluoro-ethyl)sulfanyl-propanoic acid
  • (2r)-2-acetamido-3-(1,1-dichloro-2,2-difluoroethyl)sulfanylpropanoic acid
  • (2r)-2-acetamido-3-[(1,1-dichloro-2,2-difluoro-ethyl)thio]propionic acid
  • (2r)-2-acetamido-3-[(1,1-dichloro-2,2-difluoroethyl)thio]propanoic acid
  • dcdfe-nac
  • l-cysteine, n-acetyl-s-(1,1-dichloro-2,2-difluoroethyl)-
  • n-acetyl-s-(1,1-dichloro-2,2-difluoroethyl)-1-cysteine
CAS Number(s)
  • 112761-86-1
InChIKey RTRZGBFAGGGFII-BYPYZUCNSA-N
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Elements C F H Cl O N S