ChemSpider 2D Image | 3-Fluoro-4-{[(2-fluorocyclopentyl)amino]methyl}benzonitrile | C13H14F2N2

3-Fluoro-4-{[(2-fluorocyclopentyl)amino]methyl}benzonitrile

  • Molecular FormulaC13H14F2N2
  • Average mass236.260 Da
  • Monoisotopic mass236.112503 Da
  • ChemSpider ID71317659

More details:

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

3-Fluor-4-{[(2-fluorcyclopentyl)amino]methyl}benzonitril [German] [ACD/IUPAC Name]
3-Fluoro-4-{[(2-fluorocyclopentyl)amino]methyl}benzonitrile [ACD/IUPAC Name]
3-Fluoro-4-{[(2-fluorocyclopentyl)amino]méthyl}benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-fluoro-4-[[(2-fluorocyclopentyl)amino]methyl]- [ACD/Index Name]
2201501-94-0 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 349.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.4±3.0 kJ/mol
Flash Point: 165.2±27.9 °C
Index of Refraction: 1.526
Molar Refractivity: 60.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.81
ACD/LogD (pH 5.5): 0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.34
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 11.71
ACD/KOC (pH 7.4): 173.52
Polar Surface Area: 36 Å2
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 41.2±5.0 dyne/cm
Molar Volume: 198.4±5.0 cm3

Click to predict properties on the Chemicalize site


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