ChemSpider 2D Image | 4-({4-[1-(4-Fluorophenyl)ethyl]-1-piperazinyl}methyl)benzonitrile | C20H22FN3

4-({4-[1-(4-Fluorophenyl)ethyl]-1-piperazinyl}methyl)benzonitrile

  • Molecular FormulaC20H22FN3
  • Average mass323.407 Da
  • Monoisotopic mass323.179779 Da
  • ChemSpider ID30575262

More details:

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

4-({4-[1-(4-Fluorophenyl)ethyl]-1-piperazinyl}methyl)benzonitrile [ACD/IUPAC Name]
4-({4-[1-(4-Fluorophényl)éthyl]-1-pipérazinyl}méthyl)benzonitrile [French] [ACD/IUPAC Name]
4-({4-[1-(4-Fluorphenyl)ethyl]-1-piperazinyl}methyl)benzonitril [German] [ACD/IUPAC Name]
Benzonitrile, 4-[[4-[1-(4-fluorophenyl)ethyl]-1-piperazinyl]methyl]- [ACD/Index Name]
4-({4-[1-(4-FLUOROPHENYL)ETHYL]PIPERAZIN-1-YL}METHYL)BENZONITRILE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 442.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.0±3.0 kJ/mol
Flash Point: 221.2±28.7 °C
Index of Refraction: 1.605
Molar Refractivity: 94.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 7.94
ACD/KOC (pH 5.5): 63.82
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 137.15
ACD/KOC (pH 7.4): 1102.11
Polar Surface Area: 30 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 51.8±5.0 dyne/cm
Molar Volume: 273.6±5.0 cm3

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