ChemSpider 2D Image | 3-Isopropyl 5-methyl 4-[3-chloro-6-fluoro-2-(trifluoromethyl)phenyl]-6-(fluoromethyl)-2-methyl-3,4-dihydro-3,5-pyridinedicarboxylate | C20H19ClF5NO4

3-Isopropyl 5-methyl 4-[3-chloro-6-fluoro-2-(trifluoromethyl)phenyl]-6-(fluoromethyl)-2-methyl-3,4-dihydro-3,5-pyridinedicarboxylate

  • Molecular FormulaC20H19ClF5NO4
  • Average mass467.814 Da
  • Monoisotopic mass467.092285 Da
  • ChemSpider ID95662985

More details:

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

3,5-Pyridinedicarboxylic acid, 4-[3-chloro-6-fluoro-2-(trifluoromethyl)phenyl]-6-(fluoromethyl)-3,4-dihydro-2-methyl-, 5-methyl 3-(1-methylethyl) ester [ACD/Index Name]
3-Isopropyl 5-methyl 4-[3-chloro-6-fluoro-2-(trifluoromethyl)phenyl]-6-(fluoromethyl)-2-methyl-3,4-dihydro-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
3-Isopropyl-5-methyl-4-[3-chlor-6-fluor-2-(trifluormethyl)phenyl]-6-(fluormethyl)-2-methyl-3,4-dihydro-3,5-pyridindicarboxylat [German] [ACD/IUPAC Name]
4-[3-Chloro-6-fluoro-2-(trifluorométhyl)phényl]-6-(fluorométhyl)-2-méthyl-3,4-dihydro-3,5-pyridinedicarboxylate de 3-isopropyle et de 5-méthyle [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: 445.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.3±3.0 kJ/mol
Flash Point: 222.9±28.7 °C
Index of Refraction: 1.514
Molar Refractivity: 100.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.38
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 1812.45
ACD/KOC (pH 5.5): 7479.32
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 1812.46
ACD/KOC (pH 7.4): 7479.40
Polar Surface Area: 65 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 32.6±7.0 dyne/cm
Molar Volume: 335.2±7.0 cm3

Click to predict properties on the Chemicalize site


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