ChemSpider 2D Image | 1-(4-Methylpentyl)-3-[2-(trifluoromethoxy)benzyl]urea | C15H21F3N2O2

1-(4-Methylpentyl)-3-[2-(trifluoromethoxy)benzyl]urea

  • Molecular FormulaC15H21F3N2O2
  • Average mass318.335 Da
  • Monoisotopic mass318.155518 Da
  • ChemSpider ID22408721

More details:

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

1-(4-Methylpentyl)-3-[2-(trifluormethoxy)benzyl]harnstoff [German] [ACD/IUPAC Name]
1-(4-Methylpentyl)-3-[2-(trifluoromethoxy)benzyl]urea [ACD/IUPAC Name]
1-(4-Méthylpentyl)-3-[2-(trifluorométhoxy)benzyl]urée [French] [ACD/IUPAC Name]
Urea, N-(4-methylpentyl)-N'-[[2-(trifluoromethoxy)phenyl]methyl]- [ACD/Index Name]
3-(4-METHYLPENTYL)-1-{[2-(TRIFLUOROMETHOXY)PHENYL]METHYL}UREA

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

Density: 1.1±0.1 g/cm3
Boiling Point: 406.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.8±3.0 kJ/mol
Flash Point: 199.6±28.7 °C
Index of Refraction: 1.475
Molar Refractivity: 77.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 340.16
ACD/KOC (pH 5.5): 2258.29
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 340.15
ACD/KOC (pH 7.4): 2258.28
Polar Surface Area: 50 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 32.6±3.0 dyne/cm
Molar Volume: 276.8±3.0 cm3

Click to predict properties on the Chemicalize site


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