ChemSpider 2D Image | 1-[2-(Dimethylamino)ethyl]-1-(4-fluorobenzyl)-3-[4-(trifluoromethyl)benzyl]urea | C20H23F4N3O

1-[2-(Dimethylamino)ethyl]-1-(4-fluorobenzyl)-3-[4-(trifluoromethyl)benzyl]urea

  • Molecular FormulaC20H23F4N3O
  • Average mass397.410 Da
  • Monoisotopic mass397.177734 Da
  • ChemSpider ID31652713

More details:

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

1-[2-(Dimethylamino)ethyl]-1-(4-fluorbenzyl)-3-[4-(trifluormethyl)benzyl]harnstoff [German] [ACD/IUPAC Name]
1-[2-(Dimethylamino)ethyl]-1-(4-fluorobenzyl)-3-[4-(trifluoromethyl)benzyl]urea [ACD/IUPAC Name]
1-[2-(Diméthylamino)éthyl]-1-(4-fluorobenzyl)-3-[4-(trifluorométhyl)benzyl]urée [French] [ACD/IUPAC Name]
Urea, N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-N'-[[4-(trifluoromethyl)phenyl]methyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 524.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.8±3.0 kJ/mol
Flash Point: 271.0±30.1 °C
Index of Refraction: 1.527
Molar Refractivity: 99.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.95
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 15.04
ACD/KOC (pH 7.4): 105.12
Polar Surface Area: 36 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 38.0±3.0 dyne/cm
Molar Volume: 323.6±3.0 cm3

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