ChemSpider 2D Image | 1-(2,2,2-Trifluoroethyl)-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine | C14H9F6N5O

1-(2,2,2-Trifluoroethyl)-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine

  • Molecular FormulaC14H9F6N5O
  • Average mass377.245 Da
  • Monoisotopic mass377.071136 Da
  • ChemSpider ID129131091

More details:

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

1-(2,2,2-Trifluorethyl)-N-[4-(trifluormethoxy)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
1-(2,2,2-Trifluoroethyl)-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine [ACD/IUPAC Name]
1-(2,2,2-Trifluoroéthyl)-N-[4-(trifluorométhoxy)phényl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 1-(2,2,2-trifluoroethyl)-N-[4-(trifluoromethoxy)phenyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 412.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.5±3.0 kJ/mol
Flash Point: 203.2±28.7 °C
Index of Refraction: 1.567
Molar Refractivity: 77.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 329.49
ACD/KOC (pH 5.5): 2206.75
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 329.81
ACD/KOC (pH 7.4): 2208.90
Polar Surface Area: 65 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 39.6±7.0 dyne/cm
Molar Volume: 236.7±7.0 cm3

Click to predict properties on the Chemicalize site


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