ChemSpider 2D Image | 2-Methyl-2-propanyl 8-bromo-2-(2-fluorophenyl)-6-isopropyl-3,4-dihydro-1(2H)-quinolinecarboxylate | C23H27BrFNO2

2-Methyl-2-propanyl 8-bromo-2-(2-fluorophenyl)-6-isopropyl-3,4-dihydro-1(2H)-quinolinecarboxylate

  • Molecular FormulaC23H27BrFNO2
  • Average mass448.368 Da
  • Monoisotopic mass447.120911 Da
  • ChemSpider ID64822114

More details:

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

1(2H)-Quinolinecarboxylic acid, 8-bromo-2-(2-fluorophenyl)-3,4-dihydro-6-(1-methylethyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 8-bromo-2-(2-fluorophenyl)-6-isopropyl-3,4-dihydro-1(2H)-quinolinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-8-brom-2-(2-fluorphenyl)-6-isopropyl-3,4-dihydro-1(2H)-chinolincarboxylat [German] [ACD/IUPAC Name]
8-Bromo-2-(2-fluorophényl)-6-isopropyl-3,4-dihydro-1(2H)-quinoléinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
MFCD31550050
tert-butyl 8-bromo-2-(2-fluorophenyl)-6-isopropyl-3,4-dihydroquinoline-1(2H)-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: 494.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.2±3.0 kJ/mol
Flash Point: 252.7±28.7 °C
Index of Refraction: 1.561
Molar Refractivity: 113.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.83
ACD/LogD (pH 5.5): 7.21
ACD/BCF (pH 5.5): 177388.00
ACD/KOC (pH 5.5): 198955.58
ACD/LogD (pH 7.4): 7.21
ACD/BCF (pH 7.4): 177388.20
ACD/KOC (pH 7.4): 198955.80
Polar Surface Area: 30 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 349.2±3.0 cm3

Click to predict properties on the Chemicalize site


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