ChemSpider 2D Image | 2-(Trifluoromethyl)-1,7-dihydro-8H-purin-8-one | C6H3F3N4O

2-(Trifluoromethyl)-1,7-dihydro-8H-purin-8-one

  • Molecular FormulaC6H3F3N4O
  • Average mass204.109 Da
  • Monoisotopic mass204.025894 Da
  • ChemSpider ID21404107

More details:

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

2-(Trifluormethyl)-1,7-dihydro-8H-purin-8-on [German] [ACD/IUPAC Name]
2-(Trifluoromethyl)-1,7-dihydro-8H-purin-8-one [ACD/IUPAC Name]
2-(Trifluorométhyl)-1,7-dihydro-8H-purin-8-one [French] [ACD/IUPAC Name]
7H-Purin-8-ol, 2-(trifluoromethyl)- [ACD/Index Name]
2-(trifluoromethyl)-7,9-dihydro-8H-purin-8-one
656-17-7 [RN]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 214.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 46.9±3.0 kJ/mol
Flash Point: 83.6±30.1 °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: 0.15
ACD/LogD (pH 5.5): -0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.60
ACD/LogD (pH 7.4): -1.61
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


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