Found 232 results

Search term: MF = 'C_{23}H_{22}F_{3}NO_{3}'
ChemSpider 2D Image | Methyl 2-methyl-1-(3-methylbenzyl)-6-oxo-4-[3-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydro-3-pyridinecarboxylate | C23H22F3NO3

Methyl 2-methyl-1-(3-methylbenzyl)-6-oxo-4-[3-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydro-3-pyridinecarboxylate

  • Molecular FormulaC23H22F3NO3
  • Average mass417.421 Da
  • Monoisotopic mass417.155182 Da
  • ChemSpider ID21558132

More details:

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

2-Méthyl-1-(3-méthylbenzyl)-6-oxo-4-[3-(trifluorométhyl)phényl]-1,4,5,6-tétrahydro-3-pyridinecarboxylate de méthyle [French] [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, 1,4,5,6-tetrahydro-2-methyl-1-[(3-methylphenyl)methyl]-6-oxo-4-[3-(trifluoromethyl)phenyl]-, methyl ester [ACD/Index Name]
Methyl 2-methyl-1-(3-methylbenzyl)-6-oxo-4-[3-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydro-3-pyridinecarboxylate [ACD/IUPAC Name]
Methyl-2-methyl-1-(3-methylbenzyl)-6-oxo-4-[3-(trifluormethyl)phenyl]-1,4,5,6-tetrahydro-3-pyridincarboxylat [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: 517.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.0±3.0 kJ/mol
Flash Point: 267.0±30.1 °C
Index of Refraction: 1.546
Molar Refractivity: 105.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.63
ACD/LogD (pH 5.5): 5.10
ACD/BCF (pH 5.5): 4458.31
ACD/KOC (pH 5.5): 14245.23
ACD/LogD (pH 7.4): 5.10
ACD/BCF (pH 7.4): 4458.31
ACD/KOC (pH 7.4): 14245.23
Polar Surface Area: 47 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 333.2±3.0 cm3

Click to predict properties on the Chemicalize site


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