ChemSpider 2D Image | 1,1,1-trifluoro-2-(5-methyl-2-furyl)-4-[(3-nitro-2-pyridyl)amino]butan-2-ol | C14H14F3N3O4

1,1,1-trifluoro-2-(5-methyl-2-furyl)-4-[(3-nitro-2-pyridyl)amino]butan-2-ol

  • Molecular FormulaC14H14F3N3O4
  • Average mass345.274 Da
  • Monoisotopic mass345.093628 Da
  • ChemSpider ID22114628

More details:

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

Density: 1.5±0.1 g/cm3
Boiling Point: 524.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 270.8±30.1 °C
Index of Refraction: 1.565
Molar Refractivity: 77.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 219.97
ACD/KOC (pH 5.5): 1652.45
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 220.17
ACD/KOC (pH 7.4): 1653.95
Polar Surface Area: 104 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 238.0±3.0 cm3

Click to predict properties on the Chemicalize site


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