ChemSpider 2D Image | 1-{1-[4-(Difluoromethoxy)phenyl]ethyl}-3-{3-[3-(trifluoromethyl)phenyl]-2-propyn-1-yl}urea | C20H17F5N2O2

1-{1-[4-(Difluoromethoxy)phenyl]ethyl}-3-{3-[3-(trifluoromethyl)phenyl]-2-propyn-1-yl}urea

  • Molecular FormulaC20H17F5N2O2
  • Average mass412.353 Da
  • Monoisotopic mass412.121033 Da
  • ChemSpider ID31468818

More details:

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

1-{1-[4-(Difluormethoxy)phenyl]ethyl}-3-{3-[3-(trifluormethyl)phenyl]-2-propin-1-yl}harnstoff [German] [ACD/IUPAC Name]
1-{1-[4-(Difluoromethoxy)phenyl]ethyl}-3-{3-[3-(trifluoromethyl)phenyl]-2-propyn-1-yl}urea [ACD/IUPAC Name]
1-{1-[4-(Difluorométhoxy)phényl]éthyl}-3-{3-[3-(trifluorométhyl)phényl]-2-propyn-1-yl}urée [French] [ACD/IUPAC Name]
Urea, N-[1-[4-(difluoromethoxy)phenyl]ethyl]-N'-[3-[3-(trifluoromethyl)phenyl]-2-propyn-1-yl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 535.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 277.9±30.1 °C
Index of Refraction: 1.537
Molar Refractivity: 96.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 882.93
ACD/KOC (pH 5.5): 4469.88
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 882.76
ACD/KOC (pH 7.4): 4469.00
Polar Surface Area: 50 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 43.6±5.0 dyne/cm
Molar Volume: 308.2±5.0 cm3

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