ChemSpider 2D Image | 8-Fluoro-5-(mesitylethynyl)-1,2,3,4-tetrahydroisoquinoline | C20H20FN

8-Fluoro-5-(mesitylethynyl)-1,2,3,4-tetrahydroisoquinoline

  • Molecular FormulaC20H20FN
  • Average mass293.378 Da
  • Monoisotopic mass293.157990 Da
  • ChemSpider ID84226668

More details:

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

8-Fluor-5-(mesitylethinyl)-1,2,3,4-tetrahydroisochinolin [German] [ACD/IUPAC Name]
8-Fluoro-5-(mésityléthynyl)-1,2,3,4-tétrahydroisoquinoléine [French] [ACD/IUPAC Name]
8-Fluoro-5-(mesitylethynyl)-1,2,3,4-tetrahydroisoquinoline [ACD/IUPAC Name]
Isoquinoline, 8-fluoro-1,2,3,4-tetrahydro-5-[2-(2,4,6-trimethylphenyl)ethynyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 448.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.7±3.0 kJ/mol
Flash Point: 225.2±28.7 °C
Index of Refraction: 1.606
Molar Refractivity: 88.2±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.40
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 7.60
ACD/KOC (pH 5.5): 24.28
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 304.27
ACD/KOC (pH 7.4): 972.25
Polar Surface Area: 12 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 47.9±5.0 dyne/cm
Molar Volume: 255.6±5.0 cm3

Click to predict properties on the Chemicalize site


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