ChemSpider 2D Image | 1-(Cyclopropyl{[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}amino)-2-hexanol | C26H31F2N3O2

1-(Cyclopropyl{[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}amino)-2-hexanol

  • Molecular FormulaC26H31F2N3O2
  • Average mass455.540 Da
  • Monoisotopic mass455.238434 Da
  • ChemSpider ID22649898

More details:






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

1-(Cyclopropyl{[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}amino)-2-hexanol [ACD/IUPAC Name]
1-(Cyclopropyl{[5-(4-fluorophénoxy)-1-(4-fluorophényl)-3-méthyl-1H-pyrazol-4-yl]méthyl}amino)-2-hexanol [French] [ACD/IUPAC Name]
1-(Cyclopropyl{[5-(4-fluorphenoxy)-1-(4-fluorphenyl)-3-methyl-1H-pyrazol-4-yl]methyl}amino)-2-hexanol [German] [ACD/IUPAC Name]
2-Hexanol, 1-[cyclopropyl[[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl]amino]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 551.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 287.5±30.1 °C
Index of Refraction: 1.588
Molar Refractivity: 124.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 7.02
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 177.84
ACD/KOC (pH 5.5): 491.87
ACD/LogD (pH 7.4): 5.21
ACD/BCF (pH 7.4): 4846.24
ACD/KOC (pH 7.4): 13403.49
Polar Surface Area: 51 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 40.8±7.0 dyne/cm
Molar Volume: 370.8±7.0 cm3

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