ChemSpider 2D Image | MK-0916 | C18H19ClFN3

MK-0916

  • Molecular FormulaC18H19ClFN3
  • Average mass331.815 Da
  • Monoisotopic mass331.125153 Da
  • ChemSpider ID19527310

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3,4-dicyclopropyl-5-[(1r,3r)-1-(4-chlorophenyl)-3-fluorocyclobutyl]-4H-1,2,4-triazole
3-[trans-1-(4-Chlorophenyl)-3-fluorocyclobutyl]-4,5-dicyclopropyl-4H-1,2,4-triazole [ACD/IUPAC Name]
3-[trans-1-(4-Chlorophényl)-3-fluorocyclobutyl]-4,5-dicyclopropyl-4H-1,2,4-triazole [French] [ACD/IUPAC Name]
3-[trans-1-(4-Chlorphenyl)-3-fluorcyclobutyl]-4,5-dicyclopropyl-4H-1,2,4-triazol [German] [ACD/IUPAC Name]
4H-1,2,4-Triazole, 3-[trans-1-(4-chlorophenyl)-3-fluorocyclobutyl]-4,5-dicyclopropyl- [ACD/Index Name]
633317-53-0 [RN]
BXI2C3DERP
MK-0916
3-((1r,3r)-1-(4-chlorophenyl)-3-anti-fluorocyclobutyl)-4,5-dicyclopropyl-4H-1,2,4-triazole
3-(trans-(1r,3r)-1-(4-Chlorophenyl)-3-fluorocyclobutyl)-4,5-dicyclopropyl-4H-1,2,4-triazole
More...

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

Density: 1.5±0.1 g/cm3
Boiling Point: 507.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 260.7±32.9 °C
Index of Refraction: 1.741
Molar Refractivity: 87.8±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 87.58
ACD/KOC (pH 5.5): 849.32
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 89.63
ACD/KOC (pH 7.4): 869.25
Polar Surface Area: 31 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 55.2±7.0 dyne/cm
Molar Volume: 217.6±7.0 cm3

Click to predict properties on the Chemicalize site


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