ChemSpider 2D Image | 2-{4-[2-Nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl}-4-(trifluoromethyl)pyrimidine | C16H13F6N5O2

2-{4-[2-Nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl}-4-(trifluoromethyl)pyrimidine

  • Molecular FormulaC16H13F6N5O2
  • Average mass421.297 Da
  • Monoisotopic mass421.097351 Da
  • ChemSpider ID33801214

More details:

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

2-{4-[2-Nitro-4-(trifluormethyl)phenyl]-1-piperazinyl}-4-(trifluormethyl)pyrimidin [German] [ACD/IUPAC Name]
2-{4-[2-Nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl}-4-(trifluoromethyl)pyrimidine [ACD/IUPAC Name]
2-{4-[2-Nitro-4-(trifluorométhyl)phényl]-1-pipérazinyl}-4-(trifluorométhyl)pyrimidine [French] [ACD/IUPAC Name]
Pyrimidine, 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-4-(trifluoromethyl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 501.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.0±3.0 kJ/mol
Flash Point: 256.9±32.9 °C
Index of Refraction: 1.530
Molar Refractivity: 87.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.53
ACD/LogD (pH 5.5): 4.65
ACD/BCF (pH 5.5): 2000.77
ACD/KOC (pH 5.5): 8025.99
ACD/LogD (pH 7.4): 4.65
ACD/BCF (pH 7.4): 2002.30
ACD/KOC (pH 7.4): 8032.13
Polar Surface Area: 78 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 282.3±3.0 cm3

Click to predict properties on the Chemicalize site


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