ChemSpider 2D Image | 1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(2-ethylphenoxy)methyl]urea | C18H16F6N2O2

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

  • Molecular FormulaC18H16F6N2O2
  • Average mass406.322 Da
  • Monoisotopic mass406.111603 Da
  • ChemSpider ID34607713

More details:

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

1-[3,5-Bis(trifluormethyl)phenyl]-3-[(2-ethylphenoxy)methyl]harnstoff [German] [ACD/IUPAC Name]
1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(2-ethylphenoxy)methyl]urea [ACD/IUPAC Name]
1-[3,5-Bis(trifluorométhyl)phényl]-3-[(2-éthylphénoxy)méthyl]urée [French] [ACD/IUPAC Name]
Urea, N-[3,5-bis(trifluoromethyl)phenyl]-N'-[(2-ethylphenoxy)methyl]- [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: 391.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.1±3.0 kJ/mol
Flash Point: 190.4±27.9 °C
Index of Refraction: 1.512
Molar Refractivity: 89.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.70
ACD/LogD (pH 5.5): 5.28
ACD/BCF (pH 5.5): 6024.35
ACD/KOC (pH 5.5): 17670.53
ACD/LogD (pH 7.4): 5.28
ACD/BCF (pH 7.4): 6016.43
ACD/KOC (pH 7.4): 17647.30
Polar Surface Area: 50 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 33.7±3.0 dyne/cm
Molar Volume: 299.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement