ChemSpider 2D Image | 2-(4-Methylphenyl)-3-(trifluoromethyl)-1-benzofuran | C16H11F3O

2-(4-Methylphenyl)-3-(trifluoromethyl)-1-benzofuran

  • Molecular FormulaC16H11F3O
  • Average mass276.253 Da
  • Monoisotopic mass276.076202 Da
  • ChemSpider ID28585307

More details:

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

2-(4-Methylphenyl)-3-(trifluormethyl)-1-benzofuran [German] [ACD/IUPAC Name]
2-(4-Methylphenyl)-3-(trifluoromethyl)-1-benzofuran [ACD/IUPAC Name]
2-(4-Méthylphényl)-3-(trifluorométhyl)-1-benzofurane [French] [ACD/IUPAC Name]
Benzofuran, 2-(4-methylphenyl)-3-(trifluoromethyl)- [ACD/Index Name]
2-(p-Tolyl)-3-(trifluoromethyl)benzofuran
821769-95-3 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 349.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.1±3.0 kJ/mol
Flash Point: 165.2±27.9 °C
Index of Refraction: 1.552
Molar Refractivity: 70.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.01
ACD/LogD (pH 5.5): 5.65
ACD/BCF (pH 5.5): 11661.98
ACD/KOC (pH 5.5): 28352.04
ACD/LogD (pH 7.4): 5.65
ACD/BCF (pH 7.4): 11661.98
ACD/KOC (pH 7.4): 28352.04
Polar Surface Area: 13 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 33.7±3.0 dyne/cm
Molar Volume: 221.4±3.0 cm3

Click to predict properties on the Chemicalize site


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