ChemSpider 2D Image | tert-Butyl 3-(4-fluoro-1-piperidyl)azetidine-1-carboxylate | C13H23FN2O2

tert-Butyl 3-(4-fluoro-1-piperidyl)azetidine-1-carboxylate

  • Molecular FormulaC13H23FN2O2
  • Average mass258.332 Da
  • Monoisotopic mass258.174347 Da
  • ChemSpider ID27473458

More details:

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

1257293-82-5 [RN]
1-Azetidinecarboxylic acid, 3-(4-fluoro-1-piperidinyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-(4-fluoro-1-piperidinyl)-1-azetidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-(4-fluor-1-piperidinyl)-1-azetidincarboxylat [German] [ACD/IUPAC Name]
3-(4-Fluoro-1-pipéridinyl)-1-azétidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 3-(4-fluoro-1-piperidyl)azetidine-1-carboxylate
MFCD22123270 [MDL number]
tert-Butyl 3-(4-fluoro-1-piperidyl)-azetidine-1-carboxylate
tert-butyl 3-(4-fluoropiperidin-1-yl)azetidine-1-carboxylate
tert-Butyl3-(4-fluoro-1-piperidyl)azetidine-1-carboxylate

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: 1.16
ACD/LogD (pH 5.5): 1.01
ACD/BCF (pH 5.5): 2.55
ACD/KOC (pH 5.5): 48.06
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 8.42
ACD/KOC (pH 7.4): 158.55
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

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