ChemSpider 2D Image | 2-Fluoro-6-{[2-hydroxy-2-methyl-3-(methylsulfanyl)propyl]amino}benzonitrile | C12H15FN2OS

2-Fluoro-6-{[2-hydroxy-2-methyl-3-(methylsulfanyl)propyl]amino}benzonitrile

  • Molecular FormulaC12H15FN2OS
  • Average mass254.324 Da
  • Monoisotopic mass254.088913 Da
  • ChemSpider ID30473232

More details:

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

2-Fluor-6-{[2-hydroxy-2-methyl-3-(methylsulfanyl)propyl]amino}benzonitril [German] [ACD/IUPAC Name]
2-Fluoro-6-{[2-hydroxy-2-methyl-3-(methylsulfanyl)propyl]amino}benzonitrile [ACD/IUPAC Name]
2-Fluoro-6-{[2-hydroxy-2-méthyl-3-(méthylsulfanyl)propyl]amino}benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-fluoro-6-[[2-hydroxy-2-methyl-3-(methylthio)propyl]amino]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 459.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±3.0 kJ/mol
Flash Point: 231.7±28.7 °C
Index of Refraction: 1.571
Molar Refractivity: 67.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.15
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 81.40
ACD/KOC (pH 5.5): 811.44
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 81.41
ACD/KOC (pH 7.4): 811.45
Polar Surface Area: 81 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 206.4±5.0 cm3

Click to predict properties on the Chemicalize site


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