ChemSpider 2D Image | 3-Ethyl-4-[2-nitro-4-(trifluoromethyl)benzoyl]-2-piperazinone | C14H14F3N3O4

3-Ethyl-4-[2-nitro-4-(trifluoromethyl)benzoyl]-2-piperazinone

  • Molecular FormulaC14H14F3N3O4
  • Average mass345.274 Da
  • Monoisotopic mass345.093628 Da
  • ChemSpider ID30456790

More details:

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

2-Piperazinone, 3-ethyl-4-[2-nitro-4-(trifluoromethyl)benzoyl]- [ACD/Index Name]
3-Ethyl-4-[2-nitro-4-(trifluormethyl)benzoyl]-2-piperazinon [German] [ACD/IUPAC Name]
3-Ethyl-4-[2-nitro-4-(trifluoromethyl)benzoyl]-2-piperazinone [ACD/IUPAC Name]
3-Éthyl-4-[2-nitro-4-(trifluorométhyl)benzoyl]-2-pipérazinone [French] [ACD/IUPAC Name]
3-ETHYL-4-[2-NITRO-4-(TRIFLUOROMETHYL)BENZOYL]PIPERAZIN-2-ONE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 537.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.4±3.0 kJ/mol
Flash Point: 278.6±30.1 °C
Index of Refraction: 1.520
Molar Refractivity: 76.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.09
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 5.04
ACD/KOC (pH 5.5): 110.81
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 5.04
ACD/KOC (pH 7.4): 110.81
Polar Surface Area: 95 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 250.0±3.0 cm3

Click to predict properties on the Chemicalize site


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