ChemSpider 2D Image | 1-(5-Fluoro-3-pyridinyl)-3-(6-hydroxy-6-methyl-2-heptanyl)urea | C14H22FN3O2

1-(5-Fluoro-3-pyridinyl)-3-(6-hydroxy-6-methyl-2-heptanyl)urea

  • Molecular FormulaC14H22FN3O2
  • Average mass283.342 Da
  • Monoisotopic mass283.169617 Da
  • ChemSpider ID52567124

More details:






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

1-(5-Fluor-3-pyridinyl)-3-(6-hydroxy-6-methyl-2-heptanyl)harnstoff [German] [ACD/IUPAC Name]
1-(5-Fluoro-3-pyridinyl)-3-(6-hydroxy-6-methyl-2-heptanyl)urea [ACD/IUPAC Name]
1-(5-Fluoro-3-pyridinyl)-3-(6-hydroxy-6-méthyl-2-heptanyl)urée [French] [ACD/IUPAC Name]
Urea, N-(5-fluoro-3-pyridinyl)-N'-(5-hydroxy-1,5-dimethylhexyl)- [ACD/Index Name]
1-(5-FLUOROPYRIDIN-3-YL)-3-(6-HYDROXY-6-METHYLHEPTAN-2-YL)UREA
N-(5-fluoropyridin-3-yl)-N'-(5-hydroxy-1,5-dimethylhexyl)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: 390.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 67.5±3.0 kJ/mol
Flash Point: 190.1±27.9 °C
Index of Refraction: 1.541
Molar Refractivity: 76.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.79
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 20.80
ACD/KOC (pH 5.5): 305.36
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 20.85
ACD/KOC (pH 7.4): 306.13
Polar Surface Area: 74 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 242.2±3.0 cm3

Click to predict properties on the Chemicalize site






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