ChemSpider 2D Image | 1-[(8-Hydroxy-1,4-dioxaspiro[4.5]dec-8-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea | C17H21F3N2O4

1-[(8-Hydroxy-1,4-dioxaspiro[4.5]dec-8-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea

  • Molecular FormulaC17H21F3N2O4
  • Average mass374.355 Da
  • Monoisotopic mass374.145355 Da
  • ChemSpider ID30292216

More details:

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

1-[(8-Hydroxy-1,4-dioxaspiro[4.5]dec-8-yl)methyl]-3-[2-(trifluormethyl)phenyl]harnstoff [German] [ACD/IUPAC Name]
1-[(8-Hydroxy-1,4-dioxaspiro[4.5]dec-8-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea [ACD/IUPAC Name]
1-[(8-Hydroxy-1,4-dioxaspiro[4.5]déc-8-yl)méthyl]-3-[2-(trifluorométhyl)phényl]urée [French] [ACD/IUPAC Name]
Urea, N-[(8-hydroxy-1,4-dioxaspiro[4.5]dec-8-yl)methyl]-N'-[2-(trifluoromethyl)phenyl]- [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: 471.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.3±3.0 kJ/mol
Flash Point: 238.6±28.7 °C
Index of Refraction: 1.552
Molar Refractivity: 86.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.01
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 35.99
ACD/KOC (pH 5.5): 452.44
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 35.99
ACD/KOC (pH 7.4): 452.42
Polar Surface Area: 80 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 50.0±5.0 dyne/cm
Molar Volume: 270.5±5.0 cm3

Click to predict properties on the Chemicalize site


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