ChemSpider 2D Image | 5-Iodo-3-(2-methyl-2-propanyl)-1-{2-methyl-1-[4-(trifluoromethyl)phenyl]propyl}-1H-pyrazole-4-carbonitrile | C19H21F3IN3

5-Iodo-3-(2-methyl-2-propanyl)-1-{2-methyl-1-[4-(trifluoromethyl)phenyl]propyl}-1H-pyrazole-4-carbonitrile

  • Molecular FormulaC19H21F3IN3
  • Average mass475.290 Da
  • Monoisotopic mass475.073212 Da
  • ChemSpider ID122456813

More details:

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

1H-Pyrazole-4-carbonitrile, 3-(1,1-dimethylethyl)-5-iodo-1-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]- [ACD/Index Name]
5-Iod-3-(2-methyl-2-propanyl)-1-{2-methyl-1-[4-(trifluormethyl)phenyl]propyl}-1H-pyrazol-4-carbonitril [German] [ACD/IUPAC Name]
5-Iodo-3-(2-methyl-2-propanyl)-1-{2-methyl-1-[4-(trifluoromethyl)phenyl]propyl}-1H-pyrazole-4-carbonitrile [ACD/IUPAC Name]
5-Iodo-3-(2-méthyl-2-propanyl)-1-{2-méthyl-1-[4-(trifluorométhyl)phényl]propyl}-1H-pyrazole-4-carbonitrile [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 494.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.1±3.0 kJ/mol
Flash Point: 252.6±28.7 °C
Index of Refraction: 1.565
Molar Refractivity: 106.3±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.32
ACD/LogD (pH 5.5): 6.18
ACD/BCF (pH 5.5): 29116.74
ACD/KOC (pH 5.5): 54578.06
ACD/LogD (pH 7.4): 6.18
ACD/BCF (pH 7.4): 29116.74
ACD/KOC (pH 7.4): 54578.06
Polar Surface Area: 42 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 35.2±7.0 dyne/cm
Molar Volume: 326.3±7.0 cm3

Click to predict properties on the Chemicalize site


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