ChemSpider 2D Image | trans-4-[1-(2-Fluorophenyl)-3-(tetrahydro-2H-pyran-4-yl)-1H-1,2,4-triazol-5-yl]cyclohexanol | C19H24FN3O2

trans-4-[1-(2-Fluorophenyl)-3-(tetrahydro-2H-pyran-4-yl)-1H-1,2,4-triazol-5-yl]cyclohexanol

  • Molecular FormulaC19H24FN3O2
  • Average mass345.411 Da
  • Monoisotopic mass345.185242 Da
  • ChemSpider ID30946322

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

Cyclohexanol, 4-[1-(2-fluorophenyl)-3-(tetrahydro-2H-pyran-4-yl)-1H-1,2,4-triazol-5-yl]-, trans- [ACD/Index Name]
trans-4-[1-(2-Fluorophenyl)-3-(tetrahydro-2H-pyran-4-yl)-1H-1,2,4-triazol-5-yl]cyclohexanol [ACD/IUPAC Name]
trans-4-[1-(2-Fluorophényl)-3-(tétrahydro-2H-pyran-4-yl)-1H-1,2,4-triazol-5-yl]cyclohexanol [French] [ACD/IUPAC Name]
trans-4-[1-(2-Fluorphenyl)-3-(tetrahydro-2H-pyran-4-yl)-1H-1,2,4-triazol-5-yl]cyclohexanol [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 555.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 290.0±32.9 °C
Index of Refraction: 1.654
Molar Refractivity: 92.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 77.59
ACD/KOC (pH 5.5): 783.94
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 77.61
ACD/KOC (pH 7.4): 784.15
Polar Surface Area: 60 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 49.8±7.0 dyne/cm
Molar Volume: 251.2±7.0 cm3

Click to predict properties on the Chemicalize site


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