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Search term: QPFXACXPGYKDSJ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-{3-(Trifluoromethyl)-1-[4-(trifluoromethyl)benzyl]-1H-pyrazol-4-yl}ethanol | C14H12F6N2O

2-{3-(Trifluoromethyl)-1-[4-(trifluoromethyl)benzyl]-1H-pyrazol-4-yl}ethanol

  • Molecular FormulaC14H12F6N2O
  • Average mass338.248 Da
  • Monoisotopic mass338.085388 Da
  • ChemSpider ID69421708

More details:

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

1H-Pyrazole-4-ethanol, 3-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]- [ACD/Index Name]
2-{3-(Trifluormethyl)-1-[4-(trifluormethyl)benzyl]-1H-pyrazol-4-yl}ethanol [German] [ACD/IUPAC Name]
2-{3-(Trifluoromethyl)-1-[4-(trifluoromethyl)benzyl]-1H-pyrazol-4-yl}ethanol [ACD/IUPAC Name]
2-{3-(Trifluorométhyl)-1-[4-(trifluorométhyl)benzyl]-1H-pyrazol-4-yl}éthanol [French] [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: 378.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.0±3.0 kJ/mol
Flash Point: 182.5±27.9 °C
Index of Refraction: 1.491
Molar Refractivity: 70.1±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 75.08
ACD/KOC (pH 5.5): 765.77
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 75.08
ACD/KOC (pH 7.4): 765.77
Polar Surface Area: 38 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 32.1±7.0 dyne/cm
Molar Volume: 241.9±7.0 cm3

Click to predict properties on the Chemicalize site


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