ChemSpider 2D Image | 3,3-Difluoro-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-proline | C10H15F2NO4

3,3-Difluoro-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-proline

  • Molecular FormulaC10H15F2NO4
  • Average mass251.227 Da
  • Monoisotopic mass251.096909 Da
  • ChemSpider ID75536604

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,2-Pyrrolidinedicarboxylic acid, 3,3-difluoro-, 1-(1,1-dimethylethyl) ester, (2R)- [ACD/Index Name]
3,3-Difluor-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-prolin [German] [ACD/IUPAC Name]
3,3-Difluoro-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-proline [ACD/IUPAC Name]
3,3-Difluoro-1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-proline [French] [ACD/IUPAC Name]
(2R)-1-[(tert-Butoxy)carbonyl]-3,3-difluoropyrrolidine-2-carboxylic acid
(R)-1-(tert-butoxycarbonyl)-3,3-difluoropyrrolidine-2-carboxylic acid
2165961-82-8 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 340.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 64.2±6.0 kJ/mol
Flash Point: 159.7±27.9 °C
Index of Refraction: 1.475
Molar Refractivity: 53.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.90
ACD/LogD (pH 5.5): -1.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 67 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 40.7±5.0 dyne/cm
Molar Volume: 191.6±5.0 cm3

Click to predict properties on the Chemicalize site


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