ChemSpider 2D Image | 4-(3,4-Dihydro-2(1H)-isoquinolinyl)-2-(trifluoromethyl)benzonitrile | C17H13F3N2

4-(3,4-Dihydro-2(1H)-isoquinolinyl)-2-(trifluoromethyl)benzonitrile

  • Molecular FormulaC17H13F3N2
  • Average mass302.294 Da
  • Monoisotopic mass302.103088 Da
  • ChemSpider ID33727158

More details:

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

4-(3,4-Dihydro-2(1H)-isochinolinyl)-2-(trifluormethyl)benzonitril [German] [ACD/IUPAC Name]
4-(3,4-Dihydro-2(1H)-isoquinoléinyl)-2-(trifluorométhyl)benzonitrile [French] [ACD/IUPAC Name]
4-(3,4-Dihydro-2(1H)-isoquinolinyl)-2-(trifluoromethyl)benzonitrile [ACD/IUPAC Name]
Benzonitrile, 4-(3,4-dihydro-2(1H)-isoquinolinyl)-2-(trifluoromethyl)- [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: 457.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.7±3.0 kJ/mol
Flash Point: 230.3±28.7 °C
Index of Refraction: 1.588
Molar Refractivity: 76.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 4.98
ACD/BCF (pH 5.5): 3612.16
ACD/KOC (pH 5.5): 12253.04
ACD/LogD (pH 7.4): 4.98
ACD/BCF (pH 7.4): 3612.18
ACD/KOC (pH 7.4): 12253.08
Polar Surface Area: 27 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 48.8±5.0 dyne/cm
Molar Volume: 227.9±5.0 cm3

Click to predict properties on the Chemicalize site


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