Found 1 result

Search term: JAUAGTHSIPNQFF (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 2-{4-[4-(Difluoromethoxy)benzyl]phenyl}-5-fluoro-3-methyl-4(1H)-quinolinone | C24H18F3NO2

2-{4-[4-(Difluoromethoxy)benzyl]phenyl}-5-fluoro-3-methyl-4(1H)-quinolinone

  • Molecular FormulaC24H18F3NO2
  • Average mass409.400 Da
  • Monoisotopic mass409.128967 Da
  • ChemSpider ID128708071

More details:






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

2-{4-[4-(Difluormethoxy)benzyl]phenyl}-5-fluor-3-methyl-4(1H)-chinolinon [German] [ACD/IUPAC Name]
2-{4-[4-(Difluorométhoxy)benzyl]phényl}-5-fluoro-3-méthyl-4(1H)-quinoléinone [French] [ACD/IUPAC Name]
2-{4-[4-(Difluoromethoxy)benzyl]phenyl}-5-fluoro-3-methyl-4(1H)-quinolinone [ACD/IUPAC Name]
4(1H)-Quinolinone, 2-[4-[[4-(difluoromethoxy)phenyl]methyl]phenyl]-5-fluoro-3-methyl- [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: 521.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.5±3.0 kJ/mol
Flash Point: 269.3±30.1 °C
Index of Refraction: 1.580
Molar Refractivity: 106.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.86
ACD/LogD (pH 5.5): 6.67
ACD/BCF (pH 5.5): 69484.73
ACD/KOC (pH 5.5): 101719.08
ACD/LogD (pH 7.4): 6.67
ACD/BCF (pH 7.4): 69486.03
ACD/KOC (pH 7.4): 101720.98
Polar Surface Area: 38 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 321.1±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement