ChemSpider 2D Image | 3-Methyl-2-{4-[4-(trifluoromethoxy)benzyl]phenyl}-4(1H)-quinolinone | C24H18F3NO2

3-Methyl-2-{4-[4-(trifluoromethoxy)benzyl]phenyl}-4(1H)-quinolinone

  • Molecular FormulaC24H18F3NO2
  • Average mass409.400 Da
  • Monoisotopic mass409.128967 Da
  • ChemSpider ID28505428

More details:

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

3-Methyl-2-{4-[4-(trifluormethoxy)benzyl]phenyl}-4(1H)-chinolinon [German] [ACD/IUPAC Name]
3-Méthyl-2-{4-[4-(trifluorométhoxy)benzyl]phényl}-4(1H)-quinoléinone [French] [ACD/IUPAC Name]
3-Methyl-2-{4-[4-(trifluoromethoxy)benzyl]phenyl}-4(1H)-quinolinone [ACD/IUPAC Name]
4(1H)-Quinolinone, 3-methyl-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]- [ACD/Index 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: 496.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.4±3.0 kJ/mol
Flash Point: 254.0±28.7 °C
Index of Refraction: 1.580
Molar Refractivity: 107.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 8.23
ACD/LogD (pH 5.5): 6.99
ACD/BCF (pH 5.5): 121088.31
ACD/KOC (pH 5.5): 151372.69
ACD/LogD (pH 7.4): 6.99
ACD/BCF (pH 7.4): 121102.67
ACD/KOC (pH 7.4): 151390.64
Polar Surface Area: 38 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 322.0±3.0 cm3

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