ChemSpider 2D Image | FLUCONAZOLE-D4 | C13H8D4F2N6O

FLUCONAZOLE-D4

  • Molecular FormulaC13H8D4F2N6O
  • Average mass310.295 Da
  • Monoisotopic mass310.129181 Da
  • ChemSpider ID34998167

  • Non-standard isotope - Non-standard isotope

More details:

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

1124197-58-5 [RN]
1H-1,2,4-Triazole-1-ethan-d2-ol, α-(4,6-difluorophenyl-2,3-d2)-α-(1H-1,2,4-triazol-1-ylmethyl)- [ACD/Index Name]
2-[2,4-Difluor(5,6-2H2)phenyl]-1,3-di(1H-1,2,4-triazol-1-yl)-2-(1,1-2H2)propanol [German] [ACD/IUPAC Name]
2-[2,4-Difluoro(5,6-2H2)phenyl]-1,3-di(1H-1,2,4-triazol-1-yl)-2-(1,1-2H2)propanol [ACD/IUPAC Name]
2-[2,4-Difluoro(5,6-2H2)phényl]-1,3-di(1H-1,2,4-triazol-1-yl)-2-(1,1-2H2)propanol [French] [ACD/IUPAC Name]
FLUCONAZOLE-D4
Fluconazole-d4(bismethylene-d4)

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

Density: 1.5±0.1 g/cm3
Boiling Point: 579.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.2±3.0 kJ/mol
Flash Point: 304.4±32.9 °C
Index of Refraction: 1.663
Molar Refractivity: 76.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.50
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 1.99
ACD/KOC (pH 5.5): 56.85
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 7.4): 2.00
ACD/KOC (pH 7.4): 57.13
Polar Surface Area: 82 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 55.4±7.0 dyne/cm
Molar Volume: 205.3±7.0 cm3

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