ChemSpider 2D Image | Methyl 6-methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}-2-quinolinecarboxylate | C20H16F3NO4

Methyl 6-methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}-2-quinolinecarboxylate

  • Molecular FormulaC20H16F3NO4
  • Average mass391.341 Da
  • Monoisotopic mass391.103149 Da
  • ChemSpider ID29181410

More details:

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

2-Quinolinecarboxylic acid, 6-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]-, methyl ester [ACD/Index Name]
6-Méthoxy-4-{[3-(trifluorométhyl)benzyl]oxy}-2-quinoléinecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 6-methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}-2-quinolinecarboxylate [ACD/IUPAC Name]
Methyl-6-methoxy-4-{[3-(trifluormethyl)benzyl]oxy}-2-chinolincarboxylat [German] [ACD/IUPAC Name]
1358124-44-3 [RN]
2,7,9-trimethyl-3-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
methyl 6-methoxy-4-((3-(trifluoromethyl)benzyl)oxy)quinoline-2-carboxylate
methyl 6-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]quinoline-2-carboxylate
METHYL 6-METHOXY-4-{[3-(TRIFLUOROMETHYL)PHENYL]METHOXY}QUINOLINE-2-CARBOXYLATE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 471.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.4±3.0 kJ/mol
Flash Point: 238.9±27.3 °C
Index of Refraction: 1.566
Molar Refractivity: 96.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 4.40
ACD/BCF (pH 5.5): 1308.30
ACD/KOC (pH 5.5): 5916.04
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1313.62
ACD/KOC (pH 7.4): 5940.09
Polar Surface Area: 58 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 296.9±3.0 cm3

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