ChemSpider 2D Image | {6,7-Dimethoxy-1-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2(1H)-isoquinolinyl}(2-methylphenyl)methanone | C26H24F3NO3

{6,7-Dimethoxy-1-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2(1H)-isoquinolinyl}(2-methylphenyl)methanone

  • Molecular FormulaC26H24F3NO3
  • Average mass455.469 Da
  • Monoisotopic mass455.170837 Da
  • ChemSpider ID22770184

More details:

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

{6,7-Dimethoxy-1-[3-(trifluormethyl)phenyl]-3,4-dihydro-2(1H)-isochinolinyl}(2-methylphenyl)methanon [German] [ACD/IUPAC Name]
{6,7-Diméthoxy-1-[3-(trifluorométhyl)phényl]-3,4-dihydro-2(1H)-isoquinoléinyl}(2-méthylphényl)méthanone [French] [ACD/IUPAC Name]
{6,7-Dimethoxy-1-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2(1H)-isoquinolinyl}(2-methylphenyl)methanone [ACD/IUPAC Name]
Methanone, [3,4-dihydro-6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-2(1H)-isoquinolinyl](2-methylphenyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 552.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 287.9±30.1 °C
Index of Refraction: 1.565
Molar Refractivity: 119.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 3674.43
ACD/KOC (pH 5.5): 12403.86
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3674.43
ACD/KOC (pH 7.4): 12403.86
Polar Surface Area: 39 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 366.3±3.0 cm3

Click to predict properties on the Chemicalize site


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