ChemSpider 2D Image | 2-(Cyclopentyloxy)-1-{4-[4-(2,2,2-trifluoroethoxy)benzyl]-1-piperazinyl}-1-butanone | C22H31F3N2O3

2-(Cyclopentyloxy)-1-{4-[4-(2,2,2-trifluoroethoxy)benzyl]-1-piperazinyl}-1-butanone

  • Molecular FormulaC22H31F3N2O3
  • Average mass428.488 Da
  • Monoisotopic mass428.228668 Da
  • ChemSpider ID30242176

More details:

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

1-Butanone, 2-(cyclopentyloxy)-1-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-piperazinyl]- [ACD/Index Name]
2-(Cyclopentyloxy)-1-{4-[4-(2,2,2-trifluorethoxy)benzyl]-1-piperazinyl}-1-butanon [German] [ACD/IUPAC Name]
2-(Cyclopentyloxy)-1-{4-[4-(2,2,2-trifluoroethoxy)benzyl]-1-piperazinyl}-1-butanone [ACD/IUPAC Name]
2-(Cyclopentyloxy)-1-{4-[4-(2,2,2-trifluoroéthoxy)benzyl]-1-pipérazinyl}-1-butanone [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 502.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.1±3.0 kJ/mol
Flash Point: 257.5±30.1 °C
Index of Refraction: 1.528
Molar Refractivity: 108.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.25
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 143.56
ACD/KOC (pH 5.5): 951.49
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 336.33
ACD/KOC (pH 7.4): 2229.12
Polar Surface Area: 42 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 43.1±5.0 dyne/cm
Molar Volume: 352.0±5.0 cm3

Click to predict properties on the Chemicalize site


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