ChemSpider 2D Image | 1-[3,5-Bis(trifluoromethyl)phenyl]-3-(2-cyanoethyl)urea | C12H9F6N3O

1-[3,5-Bis(trifluoromethyl)phenyl]-3-(2-cyanoethyl)urea

  • Molecular FormulaC12H9F6N3O
  • Average mass325.210 Da
  • Monoisotopic mass325.064972 Da
  • ChemSpider ID60388808

More details:

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

1-[3,5-Bis(trifluormethyl)phenyl]-3-(2-cyanethyl)harnstoff [German] [ACD/IUPAC Name]
1-[3,5-Bis(trifluoromethyl)phenyl]-3-(2-cyanoethyl)urea [ACD/IUPAC Name]
1-[3,5-Bis(trifluorométhyl)phényl]-3-(2-cyanoéthyl)urée [French] [ACD/IUPAC Name]
Urea, N-[3,5-bis(trifluoromethyl)phenyl]-N'-(2-cyanoethyl)- [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: 325.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.8±3.0 kJ/mol
Flash Point: 150.9±27.9 °C
Index of Refraction: 1.475
Molar Refractivity: 63.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 3.36
ACD/BCF (pH 5.5): 209.69
ACD/KOC (pH 5.5): 1597.34
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 209.65
ACD/KOC (pH 7.4): 1597.03
Polar Surface Area: 65 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 33.6±3.0 dyne/cm
Molar Volume: 224.8±3.0 cm3

Click to predict properties on the Chemicalize site


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