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Search term: JQTZFZMMDQGUIA-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 6-[4-(2-Bromo-5-fluorophenoxy)-1-piperidinyl]-1H-purine | C16H15BrFN5O

6-[4-(2-Bromo-5-fluorophenoxy)-1-piperidinyl]-1H-purine

  • Molecular FormulaC16H15BrFN5O
  • Average mass392.226 Da
  • Monoisotopic mass391.044403 Da
  • ChemSpider ID26615773

More details:

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

6-[4-(2-Brom-5-fluorphenoxy)-1-piperidinyl]-1H-purin [German] [ACD/IUPAC Name]
6-[4-(2-Bromo-5-fluorophenoxy)-1-piperidinyl]-1H-purine [ACD/IUPAC Name]
6-[4-(2-Bromo-5-fluorophénoxy)-1-pipéridinyl]-1H-purine [French] [ACD/IUPAC Name]
9H-Purine, 6-[4-(2-bromo-5-fluorophenoxy)-1-piperidinyl]- [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: 595.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.7±3.0 kJ/mol
Flash Point: 313.8±30.1 °C
Index of Refraction: 1.675
Molar Refractivity: 91.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 14.17
ACD/KOC (pH 5.5): 94.66
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 254.91
ACD/KOC (pH 7.4): 1703.20
Polar Surface Area: 67 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 69.8±3.0 dyne/cm
Molar Volume: 243.7±3.0 cm3

Click to predict properties on the Chemicalize site


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