Found 232 results

Search term: MF = 'C_{23}H_{22}F_{3}NO_{3}'
ChemSpider 2D Image | Isopropyl 1-(2,4-difluorobenzyl)-4-(2-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate | C23H22F3NO3

Isopropyl 1-(2,4-difluorobenzyl)-4-(2-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate

  • Molecular FormulaC23H22F3NO3
  • Average mass417.421 Da
  • Monoisotopic mass417.155182 Da
  • ChemSpider ID21558092

More details:

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

1-(2,4-Difluorobenzyl)-4-(2-fluorophényl)-2-méthyl-6-oxo-1,4,5,6-tétrahydro-3-pyridinecarboxylate d'isopropyle [French] [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, 1-[(2,4-difluorophenyl)methyl]-4-(2-fluorophenyl)-1,4,5,6-tetrahydro-2-methyl-6-oxo-, 1-methylethyl ester [ACD/Index Name]
Isopropyl 1-(2,4-difluorobenzyl)-4-(2-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate [ACD/IUPAC Name]
Isopropyl-1-(2,4-difluorbenzyl)-4-(2-fluorphenyl)-2-methyl-6-oxo-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: 515.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.7±3.0 kJ/mol
Flash Point: 265.4±30.1 °C
Index of Refraction: 1.549
Molar Refractivity: 104.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.67
ACD/LogD (pH 5.5): 5.05
ACD/BCF (pH 5.5): 4054.76
ACD/KOC (pH 5.5): 13309.91
ACD/LogD (pH 7.4): 5.05
ACD/BCF (pH 7.4): 4054.76
ACD/KOC (pH 7.4): 13309.91
Polar Surface Area: 47 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 329.4±3.0 cm3

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