ChemSpider 2D Image | 1-Cyclohexyl-3-{3-[3-(trifluoromethyl)phenyl]-2-propyn-1-yl}urea | C17H19F3N2O

1-Cyclohexyl-3-{3-[3-(trifluoromethyl)phenyl]-2-propyn-1-yl}urea

  • Molecular FormulaC17H19F3N2O
  • Average mass324.341 Da
  • Monoisotopic mass324.144958 Da
  • ChemSpider ID30032129

More details:

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

1-Cyclohexyl-3-{3-[3-(trifluormethyl)phenyl]-2-propin-1-yl}harnstoff [German] [ACD/IUPAC Name]
1-Cyclohexyl-3-{3-[3-(trifluoromethyl)phenyl]-2-propyn-1-yl}urea [ACD/IUPAC Name]
1-Cyclohexyl-3-{3-[3-(trifluorométhyl)phényl]-2-propyn-1-yl}urée [French] [ACD/IUPAC Name]
Urea, N-cyclohexyl-N'-[3-[3-(trifluoromethyl)phenyl]-2-propyn-1-yl]- [ACD/Index Name]
1-cyclohexyl-3-(3-(3-(trifluoromethyl)phenyl)prop-2-yn-1-yl)urea
1-CYCLOHEXYL-3-{3-[3-(TRIFLUOROMETHYL)PHENYL]PROP-2-YN-1-YL}UREA

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

Density: 1.2±0.1 g/cm3
Boiling Point: 477.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.1±3.0 kJ/mol
Flash Point: 242.3±28.7 °C
Index of Refraction: 1.532
Molar Refractivity: 81.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 636.48
ACD/KOC (pH 5.5): 3536.33
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 636.42
ACD/KOC (pH 7.4): 3535.96
Polar Surface Area: 41 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 43.1±5.0 dyne/cm
Molar Volume: 262.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement