ChemSpider 2D Image | 2-(3-{4-[3-(Trifluoromethyl)benzyl]-1-piperazinyl}propyl)-1H-isoindole-1,3(2H)-dione | C23H24F3N3O2

2-(3-{4-[3-(Trifluoromethyl)benzyl]-1-piperazinyl}propyl)-1H-isoindole-1,3(2H)-dione

  • Molecular FormulaC23H24F3N3O2
  • Average mass431.451 Da
  • Monoisotopic mass431.182068 Da
  • ChemSpider ID22548385

More details:

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

1H-Isoindole-1,3(2H)-dione, 2-[3-[4-[[3-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]propyl]- [ACD/Index Name]
2-(3-{4-[3-(Trifluormethyl)benzyl]-1-piperazinyl}propyl)-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-(3-{4-[3-(Trifluoromethyl)benzyl]-1-piperazinyl}propyl)-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
2-(3-{4-[3-(Trifluorométhyl)benzyl]-1-pipérazinyl}propyl)-1H-isoindole-1,3(2H)-dione [French] [ACD/IUPAC 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: 516.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.9±3.0 kJ/mol
Flash Point: 266.4±30.1 °C
Index of Refraction: 1.570
Molar Refractivity: 109.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.36
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 2.18
ACD/KOC (pH 5.5): 18.47
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 77.67
ACD/KOC (pH 7.4): 657.28
Polar Surface Area: 44 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 333.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement