ChemSpider 2D Image | 3-(Trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ol | C6H3F3N4O

3-(Trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ol

  • Molecular FormulaC6H3F3N4O
  • Average mass204.109 Da
  • Monoisotopic mass204.025894 Da
  • ChemSpider ID57256023

More details:

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

1H-Pyrazolo[3,4-d]pyrimidin-4-ol, 3-(trifluoromethyl)- [ACD/Index Name]
3-(Trifluormethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ol [German] [ACD/IUPAC Name]
3-(Trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ol [ACD/IUPAC Name]
3-(Trifluorométhyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ol [French] [ACD/IUPAC Name]
MFCD30011943

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

Density: 1.8±0.1 g/cm3
Boiling Point: 384.2±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.8±3.0 kJ/mol
Flash Point: 186.1±26.5 °C
Index of Refraction: 1.616
Molar Refractivity: 39.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.36
ACD/LogD (pH 5.5): -2.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 15.7±0.5 10-24cm3
Surface Tension: 67.6±3.0 dyne/cm
Molar Volume: 113.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement