ChemSpider 2D Image | 6-Fluoro-2-{3,4,5-trifluoro-2-[(2-methyl-2-propanyl)oxy]-6-(2-pyridinyl)phenyl}-1,3-benzoxazole | C22H16F4N2O2

6-Fluoro-2-{3,4,5-trifluoro-2-[(2-methyl-2-propanyl)oxy]-6-(2-pyridinyl)phenyl}-1,3-benzoxazole

  • Molecular FormulaC22H16F4N2O2
  • Average mass416.368 Da
  • Monoisotopic mass416.114777 Da
  • ChemSpider ID30652126

More details:

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

6-Fluor-2-{3,4,5-trifluor-2-[(2-methyl-2-propanyl)oxy]-6-(2-pyridinyl)phenyl}-1,3-benzoxazol [German] [ACD/IUPAC Name]
6-Fluoro-2-{3,4,5-trifluoro-2-[(2-methyl-2-propanyl)oxy]-6-(2-pyridinyl)phenyl}-1,3-benzoxazole [ACD/IUPAC Name]
6-Fluoro-2-{3,4,5-trifluoro-2-[(2-méthyl-2-propanyl)oxy]-6-(2-pyridinyl)phényl}-1,3-benzoxazole [French] [ACD/IUPAC Name]
Benzoxazole, 2-[2-(1,1-dimethylethoxy)-3,4,5-trifluoro-6-(2-pyridinyl)phenyl]-6-fluoro- [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: 478.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.4±3.0 kJ/mol
Flash Point: 243.0±28.7 °C
Index of Refraction: 1.566
Molar Refractivity: 102.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.95
ACD/LogD (pH 5.5): 5.26
ACD/BCF (pH 5.5): 5815.05
ACD/KOC (pH 5.5): 17217.63
ACD/LogD (pH 7.4): 5.26
ACD/BCF (pH 7.4): 5828.36
ACD/KOC (pH 7.4): 17257.03
Polar Surface Area: 48 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 42.2±3.0 dyne/cm
Molar Volume: 313.8±3.0 cm3

Click to predict properties on the Chemicalize site


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