ChemSpider 2D Image | S-(2-Chloro-1,1,2-trifluoroethyl)-D-cysteine | C5H7ClF3NO2S

S-(2-Chloro-1,1,2-trifluoroethyl)-D-cysteine

  • Molecular FormulaC5H7ClF3NO2S
  • Average mass237.628 Da
  • Monoisotopic mass236.983810 Da
  • ChemSpider ID28477295

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

D-Cysteine, S-(2-chloro-1,1,2-trifluoroethyl)- [ACD/Index Name]
S-(2-Chlor-1,1,2-trifluorethyl)-D-cystein [German] [ACD/IUPAC Name]
S-(2-Chloro-1,1,2-trifluoroethyl)-D-cysteine [ACD/IUPAC Name]
S-(2-Chloro-1,1,2-trifluoroéthyl)-D-cystéine [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 306.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 60.2±6.0 kJ/mol
Flash Point: 139.1±27.9 °C
Index of Refraction: 1.485
Molar Refractivity: 43.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): -0.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 89 Å2
Polarizability: 17.3±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 151.9±3.0 cm3

Click to predict properties on the Chemicalize site


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