ChemSpider 2D Image | N-[3-(2-Pyridinylethynyl)phenyl]-4-(trifluoromethyl)benzamide | C21H13F3N2O

N-[3-(2-Pyridinylethynyl)phenyl]-4-(trifluoromethyl)benzamide

  • Molecular FormulaC21H13F3N2O
  • Average mass366.336 Da
  • Monoisotopic mass366.097992 Da
  • ChemSpider ID22435806

More details:

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

Benzamide, N-[3-[2-(2-pyridinyl)ethynyl]phenyl]-4-(trifluoromethyl)- [ACD/Index Name]
N-[3-(2-Pyridinylethinyl)phenyl]-4-(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
N-[3-(2-Pyridinylethynyl)phenyl]-4-(trifluoromethyl)benzamide [ACD/IUPAC Name]
N-[3-(2-Pyridinyléthynyl)phényl]-4-(trifluorométhyl)benzamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 440.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.8±3.0 kJ/mol
Flash Point: 220.4±28.7 °C
Index of Refraction: 1.617
Molar Refractivity: 94.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.77
ACD/LogD (pH 5.5): 4.55
ACD/BCF (pH 5.5): 1696.83
ACD/KOC (pH 5.5): 7134.11
ACD/LogD (pH 7.4): 4.55
ACD/BCF (pH 7.4): 1697.26
ACD/KOC (pH 7.4): 7135.91
Polar Surface Area: 42 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 55.3±5.0 dyne/cm
Molar Volume: 270.6±5.0 cm3

Click to predict properties on the Chemicalize site


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