ChemSpider 2D Image | 2-[(2-Cyano-4-fluorobenzyl)sulfanyl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide | C13H12F4N2OS

2-[(2-Cyano-4-fluorobenzyl)sulfanyl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

  • Molecular FormulaC13H12F4N2OS
  • Average mass320.306 Da
  • Monoisotopic mass320.060638 Da
  • ChemSpider ID30278994

More details:

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

2-[(2-Cyan-4-fluorbenzyl)sulfanyl]-N-methyl-N-(2,2,2-trifluorethyl)acetamid [German] [ACD/IUPAC Name]
2-[(2-Cyano-4-fluorobenzyl)sulfanyl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide [ACD/IUPAC Name]
2-[(2-Cyano-4-fluorobenzyl)sulfanyl]-N-méthyl-N-(2,2,2-trifluoroéthyl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[(2-cyano-4-fluorophenyl)methyl]thio]-N-methyl-N-(2,2,2-trifluoroethyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 379.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.7±3.0 kJ/mol
Flash Point: 183.1±27.9 °C
Index of Refraction: 1.518
Molar Refractivity: 71.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 67.57
ACD/KOC (pH 5.5): 710.12
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 67.57
ACD/KOC (pH 7.4): 710.12
Polar Surface Area: 69 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 43.5±5.0 dyne/cm
Molar Volume: 236.2±5.0 cm3

Click to predict properties on the Chemicalize site


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