ChemSpider 2D Image | N-(4-Fluorophenyl)-3-(methylsulfanyl)-1-pyrrolidinecarboxamide | C12H15FN2OS

N-(4-Fluorophenyl)-3-(methylsulfanyl)-1-pyrrolidinecarboxamide

  • Molecular FormulaC12H15FN2OS
  • Average mass254.324 Da
  • Monoisotopic mass254.088913 Da
  • ChemSpider ID31078810

More details:

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

1-Pyrrolidinecarboxamide, N-(4-fluorophenyl)-3-(methylthio)- [ACD/Index Name]
N-(4-Fluorophenyl)-3-(methylsulfanyl)-1-pyrrolidinecarboxamide [ACD/IUPAC Name]
N-(4-Fluorophényl)-3-(méthylsulfanyl)-1-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
N-(4-Fluorphenyl)-3-(methylsulfanyl)-1-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
1795298-84-8 [RN]
N-(4-fluorophenyl)-3-(methylsulfanyl)pyrrolidine-1-carboxamide
N-(4-fluorophenyl)-3-(methylthio)pyrrolidine-1-carboxamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 445.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.4±3.0 kJ/mol
Flash Point: 223.4±28.7 °C
Index of Refraction: 1.596
Molar Refractivity: 68.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.47
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 21.58
ACD/KOC (pH 5.5): 313.66
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 21.57
ACD/KOC (pH 7.4): 313.65
Polar Surface Area: 58 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 200.6±5.0 cm3

Click to predict properties on the Chemicalize site


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