ChemSpider 2D Image | 5-{[2-(3-Fluorophenyl)-2-propanyl]amino}pentanenitrile | C14H19FN2

5-{[2-(3-Fluorophenyl)-2-propanyl]amino}pentanenitrile

  • Molecular FormulaC14H19FN2
  • Average mass234.313 Da
  • Monoisotopic mass234.153229 Da
  • ChemSpider ID35165636

More details:

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

5-{[2-(3-Fluorophenyl)-2-propanyl]amino}pentanenitrile [ACD/IUPAC Name]
5-{[2-(3-Fluorophényl)-2-propanyl]amino}pentanenitrile [French] [ACD/IUPAC Name]
5-{[2-(3-Fluorphenyl)-2-propanyl]amino}pentannitril [German] [ACD/IUPAC Name]
Pentanenitrile, 5-[[1-(3-fluorophenyl)-1-methylethyl]amino]- [ACD/Index Name]
5-{[2-(3-FLUOROPHENYL)PROPAN-2-YL]AMINO}PENTANENITRILE

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

Density: 1.0±0.1 g/cm3
Boiling Point: 350.8±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.5±3.0 kJ/mol
Flash Point: 165.9±23.7 °C
Index of Refraction: 1.495
Molar Refractivity: 66.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.43
ACD/LogD (pH 5.5): -0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 1.30
ACD/KOC (pH 7.4): 14.11
Polar Surface Area: 36 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 35.5±3.0 dyne/cm
Molar Volume: 228.6±3.0 cm3

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