ChemSpider 2D Image | N-[3,5-Bis(trifluoromethyl)phenyl]-5-nitro-4-(1-pyrrolidinyl)-2-pyrimidinamine | C16H13F6N5O2

N-[3,5-Bis(trifluoromethyl)phenyl]-5-nitro-4-(1-pyrrolidinyl)-2-pyrimidinamine

  • Molecular FormulaC16H13F6N5O2
  • Average mass421.297 Da
  • Monoisotopic mass421.097351 Da
  • ChemSpider ID124333404

More details:

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

2-Pyrimidinamine, N-[3,5-bis(trifluoromethyl)phenyl]-5-nitro-4-(1-pyrrolidinyl)- [ACD/Index Name]
N-[3,5-Bis(trifluormethyl)phenyl]-5-nitro-4-(1-pyrrolidinyl)-2-pyrimidinamin [German] [ACD/IUPAC Name]
N-[3,5-Bis(trifluoromethyl)phenyl]-5-nitro-4-(1-pyrrolidinyl)-2-pyrimidinamine [ACD/IUPAC Name]
N-[3,5-Bis(trifluorométhyl)phényl]-5-nitro-4-(1-pyrrolidinyl)-2-pyrimidinamine [French] [ACD/IUPAC 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: 470.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.3±3.0 kJ/mol
Flash Point: 238.1±31.5 °C
Index of Refraction: 1.556
Molar Refractivity: 88.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.03
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 2647.24
ACD/KOC (pH 5.5): 9805.78
ACD/LogD (pH 7.4): 4.81
ACD/BCF (pH 7.4): 2650.40
ACD/KOC (pH 7.4): 9817.47
Polar Surface Area: 87 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 275.3±3.0 cm3

Click to predict properties on the Chemicalize site


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