ChemSpider 2D Image | [4-(2-Hydroxy-3-{4-[4-(trifluoromethyl)benzyl]-1-piperazinyl}propoxy)phenyl]acetonitrile | C23H26F3N3O2

[4-(2-Hydroxy-3-{4-[4-(trifluoromethyl)benzyl]-1-piperazinyl}propoxy)phenyl]acetonitrile

  • Molecular FormulaC23H26F3N3O2
  • Average mass433.467 Da
  • Monoisotopic mass433.197723 Da
  • ChemSpider ID21647121

More details:

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

[4-(2-Hydroxy-3-{4-[4-(trifluormethyl)benzyl]-1-piperazinyl}propoxy)phenyl]acetonitril [German] [ACD/IUPAC Name]
[4-(2-Hydroxy-3-{4-[4-(trifluoromethyl)benzyl]-1-piperazinyl}propoxy)phenyl]acetonitrile [ACD/IUPAC Name]
[4-(2-Hydroxy-3-{4-[4-(trifluorométhyl)benzyl]-1-pipérazinyl}propoxy)phényl]acétonitrile [French] [ACD/IUPAC Name]
Benzeneacetonitrile, 4-[2-hydroxy-3-[4-[[4-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]propoxy]- [ACD/Index Name]
2-{4-[2-HYDROXY-3-(4-{[4-(TRIFLUOROMETHYL)PHENYL]METHYL}PIPERAZIN-1-YL)PROPOXY]PHENYL}ACETONITRILE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 581.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 305.5±30.1 °C
Index of Refraction: 1.552
Molar Refractivity: 110.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 12.44
ACD/KOC (pH 5.5): 98.97
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 153.46
ACD/KOC (pH 7.4): 1221.40
Polar Surface Area: 60 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 346.9±3.0 cm3

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