ChemSpider 2D Image | 1-(Difluoromethyl)-4-[(2-methylphenyl)ethynyl]isoquinoline | C19H13F2N

1-(Difluoromethyl)-4-[(2-methylphenyl)ethynyl]isoquinoline

  • Molecular FormulaC19H13F2N
  • Average mass293.310 Da
  • Monoisotopic mass293.101593 Da
  • ChemSpider ID86345153

More details:

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

1-(Difluormethyl)-4-[(2-methylphenyl)ethinyl]isochinolin [German] [ACD/IUPAC Name]
1-(Difluorométhyl)-4-[(2-méthylphényl)éthynyl]isoquinoléine [French] [ACD/IUPAC Name]
1-(Difluoromethyl)-4-[(2-methylphenyl)ethynyl]isoquinoline [ACD/IUPAC Name]
Isoquinoline, 1-(difluoromethyl)-4-[2-(2-methylphenyl)ethynyl]- [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: 444.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.5±3.0 kJ/mol
Flash Point: 222.6±28.7 °C
Index of Refraction: 1.628
Molar Refractivity: 83.6±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 4.93
ACD/BCF (pH 5.5): 3256.26
ACD/KOC (pH 5.5): 11376.18
ACD/LogD (pH 7.4): 4.93
ACD/BCF (pH 7.4): 3256.33
ACD/KOC (pH 7.4): 11376.43
Polar Surface Area: 13 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 50.6±5.0 dyne/cm
Molar Volume: 235.5±5.0 cm3

Click to predict properties on the Chemicalize site


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