ChemSpider 2D Image | (3R)-1-[(tert-Butoxy)carbonyl]-5,5-difluoropiperidine-3-carboxylic acid | C11H17F2NO4

(3R)-1-[(tert-Butoxy)carbonyl]-5,5-difluoropiperidine-3-carboxylic acid

  • Molecular FormulaC11H17F2NO4
  • Average mass265.254 Da
  • Monoisotopic mass265.112549 Da
  • ChemSpider ID32807172

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-1-[(tert-Butoxy)carbonyl]-5,5-difluoropiperidine-3-carboxylic acid
(3R)-5,5-Difluor-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-piperidincarbonsäure [German] [ACD/IUPAC Name]
(3R)-5,5-Difluoro-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-piperidinecarboxylic acid [ACD/IUPAC Name]
1,3-Piperidinedicarboxylic acid, 5,5-difluoro-, 1-(1,1-dimethylethyl) ester, (3R)- [ACD/Index Name]
2166031-07-6 [RN]
Acide (3R)-5,5-difluoro-1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-3-pipéridinecarboxylique [French] [ACD/IUPAC Name]
(3R)-1-(tert-butoxycarbonyl)-5,5-difluoropiperidine-3-carboxylic acid
(3R)-1-[(t-Butoxy)carbonyl]-5,5-difluoropiperidine-3-carboxylic acid
(R)-1-(tert-butoxycarbonyl)-5,5-difluoropiperidine-3-carboxylic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 356.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 66.1±6.0 kJ/mol
Flash Point: 169.3±27.9 °C
Index of Refraction: 1.475
Molar Refractivity: 58.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.01
ACD/LogD (pH 5.5): -0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.88
ACD/LogD (pH 7.4): -2.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 67 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 40.4±5.0 dyne/cm
Molar Volume: 207.9±5.0 cm3

Click to predict properties on the Chemicalize site


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