ChemSpider 2D Image | 3-(2-Isopropoxyethyl)-1-methyl-1-[2-(trifluoromethyl)benzyl]urea | C15H21F3N2O2

3-(2-Isopropoxyethyl)-1-methyl-1-[2-(trifluoromethyl)benzyl]urea

  • Molecular FormulaC15H21F3N2O2
  • Average mass318.335 Da
  • Monoisotopic mass318.155518 Da
  • ChemSpider ID52612544

More details:

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

3-(2-Isopropoxyethyl)-1-methyl-1-[2-(trifluormethyl)benzyl]harnstoff [German] [ACD/IUPAC Name]
3-(2-Isopropoxyethyl)-1-methyl-1-[2-(trifluoromethyl)benzyl]urea [ACD/IUPAC Name]
3-(2-Isopropoxyéthyl)-1-méthyl-1-[2-(trifluorométhyl)benzyl]urée [French] [ACD/IUPAC Name]
Urea, N-methyl-N'-[2-(1-methylethoxy)ethyl]-N-[[2-(trifluoromethyl)phenyl]methyl]- [ACD/Index Name]
1-METHYL-3-[2-(PROPAN-2-YLOXY)ETHYL]-1-{[2-(TRIFLUOROMETHYL)PHENYL]METHYL}UREA
3-(2-ISOPROPOXYETHYL)-1-METHYL-1-{[2-(TRIFLUOROMETHYL)PHENYL]METHYL}UREA
N'-(2-isopropoxyethyl)-N-methyl-N-[2-(trifluoromethyl)benzyl]urea

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

Density: 1.2±0.1 g/cm3
Boiling Point: 423.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.7±3.0 kJ/mol
Flash Point: 209.6±28.7 °C
Index of Refraction: 1.477
Molar Refractivity: 77.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 3.00
ACD/BCF (pH 5.5): 112.95
ACD/KOC (pH 5.5): 1025.83
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 112.95
ACD/KOC (pH 7.4): 1025.82
Polar Surface Area: 42 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 32.4±3.0 dyne/cm
Molar Volume: 274.7±3.0 cm3

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