ChemSpider 2D Image | Dimethyl 2,6-dimethyl-4-{5-[3-(trifluoromethyl)phenyl]-2-furyl}-1,4-dihydro-3,5-pyridinedicarboxylate | C22H20F3NO5

Dimethyl 2,6-dimethyl-4-{5-[3-(trifluoromethyl)phenyl]-2-furyl}-1,4-dihydro-3,5-pyridinedicarboxylate

  • Molecular FormulaC22H20F3NO5
  • Average mass435.393 Da
  • Monoisotopic mass435.129364 Da
  • ChemSpider ID21677651

More details:

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

2,6-Diméthyl-4-{5-[3-(trifluorométhyl)phényl]-2-furyl}-1,4-dihydro-3,5-pyridinedicarboxylate de diméthyle [French] [ACD/IUPAC Name]
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-[5-[3-(trifluoromethyl)phenyl]-2-furanyl]-, dimethyl ester [ACD/Index Name]
Dimethyl 2,6-dimethyl-4-{5-[3-(trifluoromethyl)phenyl]-2-furyl}-1,4-dihydro-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
Dimethyl-2,6-dimethyl-4-{5-[3-(trifluormethyl)phenyl]-2-furyl}-1,4-dihydro-3,5-pyridindicarboxylat [German] [ACD/IUPAC Name]
2,6-Dimethyl-4-[5-(3-trifluoromethyl-phenyl)-furan-2-yl]-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester

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

Density: 1.3±0.1 g/cm3
Boiling Point: 512.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.3±3.0 kJ/mol
Flash Point: 263.5±30.1 °C
Index of Refraction: 1.516
Molar Refractivity: 103.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.16
ACD/LogD (pH 5.5): 5.04
ACD/BCF (pH 5.5): 3970.26
ACD/KOC (pH 5.5): 13104.36
ACD/LogD (pH 7.4): 5.04
ACD/BCF (pH 7.4): 3977.01
ACD/KOC (pH 7.4): 13126.63
Polar Surface Area: 78 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 36.7±3.0 dyne/cm
Molar Volume: 342.0±3.0 cm3

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