ChemSpider 2D Image | 2-[(2-{4-[3-(Trifluoromethyl)phenyl]-1-piperazinyl}ethyl)amino]benzonitrile | C20H21F3N4

2-[(2-{4-[3-(Trifluoromethyl)phenyl]-1-piperazinyl}ethyl)amino]benzonitrile

  • Molecular FormulaC20H21F3N4
  • Average mass374.403 Da
  • Monoisotopic mass374.171844 Da
  • ChemSpider ID22479947

More details:

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

2-[(2-{4-[3-(Trifluormethyl)phenyl]-1-piperazinyl}ethyl)amino]benzonitril [German] [ACD/IUPAC Name]
2-[(2-{4-[3-(Trifluoromethyl)phenyl]-1-piperazinyl}ethyl)amino]benzonitrile [ACD/IUPAC Name]
2-[(2-{4-[3-(Trifluorométhyl)phényl]-1-pipérazinyl}éthyl)amino]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-[[2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl]amino]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 533.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 276.6±30.1 °C
Index of Refraction: 1.590
Molar Refractivity: 98.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 31.85
ACD/KOC (pH 5.5): 180.68
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 483.32
ACD/KOC (pH 7.4): 2741.45
Polar Surface Area: 42 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 290.8±5.0 cm3

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