ChemSpider 2D Image | 2-{4-[2-Nitro-5-(2,2,2-trifluoroethoxy)benzoyl]-1-piperazinyl}-1-(1-piperidinyl)ethanone | C20H25F3N4O5

2-{4-[2-Nitro-5-(2,2,2-trifluoroethoxy)benzoyl]-1-piperazinyl}-1-(1-piperidinyl)ethanone

  • Molecular FormulaC20H25F3N4O5
  • Average mass458.431 Da
  • Monoisotopic mass458.177704 Da
  • ChemSpider ID33567798

More details:

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

2-{4-[2-Nitro-5-(2,2,2-trifluorethoxy)benzoyl]-1-piperazinyl}-1-(1-piperidinyl)ethanon [German] [ACD/IUPAC Name]
2-{4-[2-Nitro-5-(2,2,2-trifluoroethoxy)benzoyl]-1-piperazinyl}-1-(1-piperidinyl)ethanone [ACD/IUPAC Name]
2-{4-[2-Nitro-5-(2,2,2-trifluoroéthoxy)benzoyl]-1-pipérazinyl}-1-(1-pipéridinyl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-[4-[2-nitro-5-(2,2,2-trifluoroethoxy)benzoyl]-1-piperazinyl]-1-(1-piperidinyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 624.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 331.2±31.5 °C
Index of Refraction: 1.546
Molar Refractivity: 107.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 2.08
ACD/BCF (pH 5.5): 21.05
ACD/KOC (pH 5.5): 288.70
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 26.39
ACD/KOC (pH 7.4): 362.00
Polar Surface Area: 99 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 339.1±3.0 cm3

Click to predict properties on the Chemicalize site


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