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

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

  • Molecular FormulaC14H9F6N5O
  • Average mass377.245 Da
  • Monoisotopic mass377.071136 Da
  • ChemSpider ID69318498

More details:

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

1H-Pyrazolo[3,4-d]pyrimidin-4-amine, N-[4-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)phenyl]- [ACD/Index Name]
N-[4-(2,2,2-Trifluorethoxy)-3-(trifluormethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
N-[4-(2,2,2-Trifluoroethoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine [ACD/IUPAC Name]
N-[4-(2,2,2-Trifluoroéthoxy)-3-(trifluorométhyl)phényl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine [French] [ACD/IUPAC 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: 470.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.4±3.0 kJ/mol
Flash Point: 238.6±28.7 °C
Index of Refraction: 1.577
Molar Refractivity: 78.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 405.36
ACD/KOC (pH 5.5): 2551.13
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 409.83
ACD/KOC (pH 7.4): 2579.26
Polar Surface Area: 76 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 238.0±3.0 cm3

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