ChemSpider 2D Image | 2-[4-(4-{3-Isopropyl-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2-butanyl)-2-methylphenoxy]-2-methylpropanoic acid | C28H33F3N2O3

2-[4-(4-{3-Isopropyl-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2-butanyl)-2-methylphenoxy]-2-methylpropanoic acid

  • Molecular FormulaC28H33F3N2O3
  • Average mass502.568 Da
  • Monoisotopic mass502.244324 Da
  • ChemSpider ID10031287

More details:

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

2-[4-(4-{3-Isopropyl-1-[4-(trifluormethyl)phenyl]-1H-pyrazol-4-yl}-2-butanyl)-2-methylphenoxy]-2-methylpropansäure [German] [ACD/IUPAC Name]
2-[4-(4-{3-Isopropyl-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2-butanyl)-2-methylphenoxy]-2-methylpropanoic acid [ACD/IUPAC Name]
Acide 2-[4-(4-{3-isopropyl-1-[4-(trifluorométhyl)phényl]-1H-pyrazol-4-yl}-2-butanyl)-2-méthylphénoxy]-2-méthylpropanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 2-methyl-2-[2-methyl-4-[1-methyl-3-[3-(1-methylethyl)-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]propyl]phenoxy]- [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: 561.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 293.1±30.1 °C
Index of Refraction: 1.537
Molar Refractivity: 133.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.52
ACD/LogD (pH 5.5): 4.65
ACD/BCF (pH 5.5): 614.15
ACD/KOC (pH 5.5): 846.44
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 22.87
ACD/KOC (pH 7.4): 31.52
Polar Surface Area: 64 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 34.9±7.0 dyne/cm
Molar Volume: 428.0±7.0 cm3

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