ChemSpider 2D Image | 2-Methyl-2-propanyl (4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)-1-piperidinecarboxylate | C11H19F2NO4

2-Methyl-2-propanyl (4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)-1-piperidinecarboxylate

  • Molecular FormulaC11H19F2NO4
  • Average mass267.270 Da
  • Monoisotopic mass267.128204 Da
  • ChemSpider ID75536004

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S,5R)-3,3-Difluoro-4-hydroxy-5-(hydroxyméthyl)-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Piperidinecarboxylic acid, 3,3-difluoro-4-hydroxy-5-(hydroxymethyl)-, 1,1-dimethylethyl ester, (4S,5R)- [ACD/Index Name]
2-Methyl-2-propanyl (4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(4S,5R)-3,3-difluor-4-hydroxy-5-(hydroxymethyl)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
1932822-00-8 [RN]
2165779-31-5 [RN]
MFCD28975639
tert-Butyl Cis-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)piperidine-1-carboxylate racemate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 359.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 70.1±6.0 kJ/mol
Flash Point: 171.3±27.9 °C
Index of Refraction: 1.486
Molar Refractivity: 60.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.15
ACD/LogD (pH 5.5): 0.52
ACD/BCF (pH 5.5): 1.47
ACD/KOC (pH 5.5): 45.90
ACD/LogD (pH 7.4): 0.52
ACD/BCF (pH 7.4): 1.47
ACD/KOC (pH 7.4): 45.90
Polar Surface Area: 70 Å2
Polarizability: 23.8±0.5 10-24cm3
Surface Tension: 42.6±5.0 dyne/cm
Molar Volume: 208.9±5.0 cm3

Click to predict properties on the Chemicalize site


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