ChemSpider 2D Image | 2-(Trifluoromethyl)-1,8-dihydro-6H-purin-6-one | C6H3F3N4O

2-(Trifluoromethyl)-1,8-dihydro-6H-purin-6-one

  • Molecular FormulaC6H3F3N4O
  • Average mass204.109 Da
  • Monoisotopic mass204.025894 Da
  • ChemSpider ID67889141

More details:

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

2-(Trifluormethyl)-1,8-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-(Trifluoromethyl)-1,8-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-(Trifluorométhyl)-1,8-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
6H-Purin-6-one, 1,8-dihydro-2-(trifluoromethyl)- [ACD/Index Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.672
Molar Refractivity: 38.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.58
ACD/LogD (pH 5.5): -1.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.82
ACD/LogD (pH 7.4): -2.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 15.2±0.5 10-24cm3
Surface Tension: 53.3±7.0 dyne/cm
Molar Volume: 102.4±7.0 cm3

Click to predict properties on the Chemicalize site


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