ChemSpider 2D Image | Diethyl 4-[6-chloro-2,3-difluoro-4-(trifluoromethyl)phenyl]-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate | C20H19ClF5NO4

Diethyl 4-[6-chloro-2,3-difluoro-4-(trifluoromethyl)phenyl]-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate

  • Molecular FormulaC20H19ClF5NO4
  • Average mass467.814 Da
  • Monoisotopic mass467.092285 Da
  • ChemSpider ID102540607

More details:

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

3,5-Pyridinedicarboxylic acid, 4-[6-chloro-2,3-difluoro-4-(trifluoromethyl)phenyl]-1,4-dihydro-2,6-dimethyl-, diethyl ester [ACD/Index Name]
4-[6-Chloro-2,3-difluoro-4-(trifluorométhyl)phényl]-2,6-diméthyl-1,4-dihydro-3,5-pyridinedicarboxylate de diéthyle [French] [ACD/IUPAC Name]
Diethyl 4-[6-chloro-2,3-difluoro-4-(trifluoromethyl)phenyl]-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
Diethyl-4-[6-chlor-2,3-difluor-4-(trifluormethyl)phenyl]-2,6-dimethyl-1,4-dihydro-3,5-pyridindicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 445.1±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: 223.0±28.7 °C
Index of Refraction: 1.490
Molar Refractivity: 100.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 5.41
ACD/BCF (pH 5.5): 7596.42
ACD/KOC (pH 5.5): 20856.09
ACD/LogD (pH 7.4): 5.41
ACD/BCF (pH 7.4): 7602.38
ACD/KOC (pH 7.4): 20872.45
Polar Surface Area: 65 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 35.3±3.0 dyne/cm
Molar Volume: 347.3±3.0 cm3

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