ChemSpider 2D Image | 2-Methyl-2-propanyl 4-(3-fluoro-1-azetidinyl)-1-piperidinecarboxylate | C13H23FN2O2

2-Methyl-2-propanyl 4-(3-fluoro-1-azetidinyl)-1-piperidinecarboxylate

  • Molecular FormulaC13H23FN2O2
  • Average mass258.332 Da
  • Monoisotopic mass258.174347 Da
  • ChemSpider ID24608974

More details:

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

1-Piperidinecarboxylic acid, 4-(3-fluoro-1-azetidinyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-(3-fluoro-1-azetidinyl)-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(3-fluor-1-azetidinyl)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-(3-Fluoro-1-azétidinyl)-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1359703-66-4 [RN]
4-(3-Fluoro-azetidin-1-yl)-piperidine-1-carboxylic acid tert-butyl ester
MFCD17015625 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 322.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.4±3.0 kJ/mol
Flash Point: 148.9±27.9 °C
Index of Refraction: 1.505
Molar Refractivity: 67.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.87
ACD/LogD (pH 5.5): -0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.88
ACD/LogD (pH 7.4): 1.25
ACD/BCF (pH 7.4): 4.87
ACD/KOC (pH 7.4): 99.46
Polar Surface Area: 33 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 38.9±5.0 dyne/cm
Molar Volume: 228.8±5.0 cm3

Click to predict properties on the Chemicalize site


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