ChemSpider 2D Image | 1-[2-Fluoro-5-(trifluoromethyl)phenyl]-3-[4-hydroxy-3-(methylsulfanyl)-2-butanyl]urea | C13H16F4N2O2S

1-[2-Fluoro-5-(trifluoromethyl)phenyl]-3-[4-hydroxy-3-(methylsulfanyl)-2-butanyl]urea

  • Molecular FormulaC13H16F4N2O2S
  • Average mass340.337 Da
  • Monoisotopic mass340.086853 Da
  • ChemSpider ID30237977

More details:

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

1-[2-Fluor-5-(trifluormethyl)phenyl]-3-[4-hydroxy-3-(methylsulfanyl)-2-butanyl]harnstoff [German] [ACD/IUPAC Name]
1-[2-Fluoro-5-(trifluoromethyl)phenyl]-3-[4-hydroxy-3-(methylsulfanyl)-2-butanyl]urea [ACD/IUPAC Name]
1-[2-Fluoro-5-(trifluorométhyl)phényl]-3-[4-hydroxy-3-(méthylsulfanyl)-2-butanyl]urée [French] [ACD/IUPAC Name]
Urea, N-[2-fluoro-5-(trifluoromethyl)phenyl]-N'-[3-hydroxy-1-methyl-2-(methylthio)propyl]- [ACD/Index Name]
1-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]-3-[4-HYDROXY-3-(METHYLSULFANYL)BUTAN-2-YL]UREA

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

Density: 1.4±0.1 g/cm3
Boiling Point: 409.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.8±3.0 kJ/mol
Flash Point: 201.6±28.7 °C
Index of Refraction: 1.536
Molar Refractivity: 77.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 125.92
ACD/KOC (pH 5.5): 1108.82
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 125.90
ACD/KOC (pH 7.4): 1108.59
Polar Surface Area: 87 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 247.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement