ChemSpider 2D Image | 1-(2-Adamantyl)-3-(2,3,4-trifluorophenyl)urea | C17H19F3N2O

1-(2-Adamantyl)-3-(2,3,4-trifluorophenyl)urea

  • Molecular FormulaC17H19F3N2O
  • Average mass324.341 Da
  • Monoisotopic mass324.144958 Da
  • ChemSpider ID26567193

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

1-(2-Adamantyl)-3-(2,3,4-trifluorophenyl)urea
1-[(1r,3r,5r,7r)-Adamantan-2-yl]-3-(2,3,4-trifluorophenyl)urea [ACD/IUPAC Name]
1-[(1r,3r,5r,7r)-Adamantan-2-yl]-3-(2,3,4-trifluorophényl)urée [French] [ACD/IUPAC Name]
1-[(1r,3r,5r,7r)-Adamantan-2-yl]-3-(2,3,4-trifluorphenyl)harnstoff [German] [ACD/IUPAC Name]
Urea, N-tricyclo[3.3.1.13,7]dec-2-yl-N'-(2,3,4-trifluorophenyl)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 452.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.0±3.0 kJ/mol
Flash Point: 227.2±31.5 °C
Index of Refraction: 1.667
Molar Refractivity: 77.3±0.5 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 4.66
ACD/KOC (pH 5.5): 27.31
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 4.61
ACD/KOC (pH 7.4): 27.03
Polar Surface Area: 45 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 44.9±7.0 dyne/cm
Molar Volume: 207.6±7.0 cm3

Click to predict properties on the Chemicalize site


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