ChemSpider 2D Image | N-(2-Cyanoethyl)-2-{[1-(2,6-difluorophenyl)ethyl]sulfanyl}acetamide | C13H14F2N2OS

N-(2-Cyanoethyl)-2-{[1-(2,6-difluorophenyl)ethyl]sulfanyl}acetamide

  • Molecular FormulaC13H14F2N2OS
  • Average mass284.325 Da
  • Monoisotopic mass284.079498 Da
  • ChemSpider ID26135764

More details:

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

Acetamide, N-(2-cyanoethyl)-2-[[1-(2,6-difluorophenyl)ethyl]thio]- [ACD/Index Name]
N-(2-Cyanethyl)-2-{[1-(2,6-difluorphenyl)ethyl]sulfanyl}acetamid [German] [ACD/IUPAC Name]
N-(2-Cyanoethyl)-2-{[1-(2,6-difluorophenyl)ethyl]sulfanyl}acetamide [ACD/IUPAC Name]
N-(2-Cyanoéthyl)-2-{[1-(2,6-difluorophényl)éthyl]sulfanyl}acétamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 453.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 228.0±28.7 °C
Index of Refraction: 1.533
Molar Refractivity: 70.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.57
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 19.45
ACD/KOC (pH 5.5): 291.23
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 19.45
ACD/KOC (pH 7.4): 291.23
Polar Surface Area: 78 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 227.2±3.0 cm3

Click to predict properties on the Chemicalize site


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