ChemSpider 2D Image | 1-{4-[2-(4-Chlorophenyl)-2-{[4-(trifluoromethyl)benzyl]oxy}ethyl]-1-piperazinyl}ethanone | C22H24ClF3N2O2

1-{4-[2-(4-Chlorophenyl)-2-{[4-(trifluoromethyl)benzyl]oxy}ethyl]-1-piperazinyl}ethanone

  • Molecular FormulaC22H24ClF3N2O2
  • Average mass440.886 Da
  • Monoisotopic mass440.147827 Da
  • ChemSpider ID22735954

More details:

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

1-{4-[2-(4-Chlorophenyl)-2-{[4-(trifluoromethyl)benzyl]oxy}ethyl]-1-piperazinyl}ethanone [ACD/IUPAC Name]
1-{4-[2-(4-Chlorophényl)-2-{[4-(trifluorométhyl)benzyl]oxy}éthyl]-1-pipérazinyl}éthanone [French] [ACD/IUPAC Name]
1-{4-[2-(4-Chlorphenyl)-2-{[4-(trifluormethyl)benzyl]oxy}ethyl]-1-piperazinyl}ethanon [German] [ACD/IUPAC Name]
Ethanone, 1-[4-[2-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]-1-piperazinyl]- [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: 515.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.7±3.0 kJ/mol
Flash Point: 265.6±30.1 °C
Index of Refraction: 1.541
Molar Refractivity: 109.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 4.49
ACD/BCF (pH 5.5): 1258.88
ACD/KOC (pH 5.5): 4577.66
ACD/LogD (pH 7.4): 4.84
ACD/BCF (pH 7.4): 2784.86
ACD/KOC (pH 7.4): 10126.55
Polar Surface Area: 33 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 41.7±3.0 dyne/cm
Molar Volume: 347.9±3.0 cm3

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