ChemSpider 2D Image | 3-Fluoropropyl 3-methyl-3-[5-(tetrahydro-2H-pyran-4-yl)-1,3,4-oxadiazol-2-yl]-1-azetidinecarboxylate | C15H22FN3O4

3-Fluoropropyl 3-methyl-3-[5-(tetrahydro-2H-pyran-4-yl)-1,3,4-oxadiazol-2-yl]-1-azetidinecarboxylate

  • Molecular FormulaC15H22FN3O4
  • Average mass327.351 Da
  • Monoisotopic mass327.159424 Da
  • ChemSpider ID64908486

More details:

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

1-Azetidinecarboxylic acid, 3-methyl-3-[5-(tetrahydro-2H-pyran-4-yl)-1,3,4-oxadiazol-2-yl]-, 3-fluoropropyl ester [ACD/Index Name]
3-Fluoropropyl 3-methyl-3-[5-(tetrahydro-2H-pyran-4-yl)-1,3,4-oxadiazol-2-yl]-1-azetidinecarboxylate [ACD/IUPAC Name]
3-Fluorpropyl-3-methyl-3-[5-(tetrahydro-2H-pyran-4-yl)-1,3,4-oxadiazol-2-yl]-1-azetidincarboxylat [German] [ACD/IUPAC Name]
3-Méthyl-3-[5-(tétrahydro-2H-pyran-4-yl)-1,3,4-oxadiazol-2-yl]-1-azétidinecarboxylate de 3-fluoropropyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 466.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.8±3.0 kJ/mol
Flash Point: 236.0±31.5 °C
Index of Refraction: 1.508
Molar Refractivity: 78.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.45
ACD/LogD (pH 5.5): 0.74
ACD/BCF (pH 5.5): 2.16
ACD/KOC (pH 5.5): 60.32
ACD/LogD (pH 7.4): 0.74
ACD/BCF (pH 7.4): 2.16
ACD/KOC (pH 7.4): 60.32
Polar Surface Area: 78 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 262.2±3.0 cm3

Click to predict properties on the Chemicalize site


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