ChemSpider 2D Image | 1-[1-(1-Piperidinylmethyl)-3,4-dihydro-2(1H)-isoquinolinyl]-2-[4-(trifluoromethyl)phenyl]ethanone | C24H27F3N2O

1-[1-(1-Piperidinylmethyl)-3,4-dihydro-2(1H)-isoquinolinyl]-2-[4-(trifluoromethyl)phenyl]ethanone

  • Molecular FormulaC24H27F3N2O
  • Average mass416.479 Da
  • Monoisotopic mass416.207550 Da
  • ChemSpider ID23177779

More details:

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

1-[1-(1-Piperidinylmethyl)-3,4-dihydro-2(1H)-isochinolinyl]-2-[4-(trifluormethyl)phenyl]ethanon [German] [ACD/IUPAC Name]
1-[1-(1-Pipéridinylméthyl)-3,4-dihydro-2(1H)-isoquinoléinyl]-2-[4-(trifluorométhyl)phényl]éthanone [French] [ACD/IUPAC Name]
1-[1-(1-Piperidinylmethyl)-3,4-dihydro-2(1H)-isoquinolinyl]-2-[4-(trifluoromethyl)phenyl]ethanone [ACD/IUPAC Name]
1-[1-(piperidin-1-ylmethyl)-3,4-dihydroisoquinolin-2(1H)-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
Ethanone, 1-[3,4-dihydro-1-(1-piperidinylmethyl)-2(1H)-isoquinolinyl]-2-[4-(trifluoromethyl)phenyl]- [ACD/Index Name]
(-)-1-(1-Piperidin-1-ylmethyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-trifluoromethyl-phenyl)-ethanone
(-)-1-(1-Piperidin-1-ylmethyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-trifluoromethyl-phenyl)-ethanone;C4H6O6

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

Density: 1.2±0.1 g/cm3
Boiling Point: 537.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.4±3.0 kJ/mol
Flash Point: 278.7±30.1 °C
Index of Refraction: 1.553
Molar Refractivity: 110.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 6.78
ACD/KOC (pH 5.5): 19.39
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 126.41
ACD/KOC (pH 7.4): 361.64
Polar Surface Area: 24 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 343.9±3.0 cm3

Click to predict properties on the Chemicalize site


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