ChemSpider 2D Image | 1-[3-(Hydroxymethyl)-3-pentanyl]-3-[2-(2,2,2-trifluoroethyl)phenyl]urea | C15H21F3N2O2

1-[3-(Hydroxymethyl)-3-pentanyl]-3-[2-(2,2,2-trifluoroethyl)phenyl]urea

  • Molecular FormulaC15H21F3N2O2
  • Average mass318.335 Da
  • Monoisotopic mass318.155518 Da
  • ChemSpider ID30446656

More details:

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

1-[3-(Hydroxymethyl)-3-pentanyl]-3-[2-(2,2,2-trifluorethyl)phenyl]harnstoff [German] [ACD/IUPAC Name]
1-[3-(Hydroxymethyl)-3-pentanyl]-3-[2-(2,2,2-trifluoroethyl)phenyl]urea [ACD/IUPAC Name]
1-[3-(Hydroxyméthyl)-3-pentanyl]-3-[2-(2,2,2-trifluoroéthyl)phényl]urée [French] [ACD/IUPAC Name]
Urea, N-[1-ethyl-1-(hydroxymethyl)propyl]-N'-[2-(2,2,2-trifluoroethyl)phenyl]- [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: 377.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.9±3.0 kJ/mol
Flash Point: 182.0±27.9 °C
Index of Refraction: 1.517
Molar Refractivity: 78.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 107.74
ACD/KOC (pH 5.5): 991.69
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 107.73
ACD/KOC (pH 7.4): 991.62
Polar Surface Area: 61 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 260.6±3.0 cm3

Click to predict properties on the Chemicalize site


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