ChemSpider 2D Image | [5-Chloro-3-(difluoromethyl)-1-{1-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl}-1H-pyrazol-4-yl]methanol | C17H17ClF6N2O

[5-Chloro-3-(difluoromethyl)-1-{1-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl}-1H-pyrazol-4-yl]methanol

  • Molecular FormulaC17H17ClF6N2O
  • Average mass414.773 Da
  • Monoisotopic mass414.093353 Da
  • ChemSpider ID122442747

More details:

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

[5-Chlor-3-(difluormethyl)-1-{1-[3-fluor-4-(trifluormethyl)phenyl]-2,2-dimethylpropyl}-1H-pyrazol-4-yl]methanol [German] [ACD/IUPAC Name]
[5-Chloro-3-(difluoromethyl)-1-{1-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl}-1H-pyrazol-4-yl]methanol [ACD/IUPAC Name]
[5-Chloro-3-(difluorométhyl)-1-{1-[3-fluoro-4-(trifluorométhyl)phényl]-2,2-diméthylpropyl}-1H-pyrazol-4-yl]méthanol [French] [ACD/IUPAC Name]
1H-Pyrazole-4-methanol, 5-chloro-3-(difluoromethyl)-1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]- [ACD/Index 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: 441.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.6±3.0 kJ/mol
Flash Point: 220.7±28.7 °C
Index of Refraction: 1.505
Molar Refractivity: 88.0±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 4.55
ACD/BCF (pH 5.5): 1685.58
ACD/KOC (pH 5.5): 7100.76
ACD/LogD (pH 7.4): 4.55
ACD/BCF (pH 7.4): 1685.57
ACD/KOC (pH 7.4): 7100.74
Polar Surface Area: 38 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 30.6±7.0 dyne/cm
Molar Volume: 296.8±7.0 cm3

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