ChemSpider 2D Image | Methyl (1S,2R)-2-fluoro-2-(hydroxymethyl)-1-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)cyclopropanecarboxylate | C11H18FNO5

Methyl (1S,2R)-2-fluoro-2-(hydroxymethyl)-1-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)cyclopropanecarboxylate

  • Molecular FormulaC11H18FNO5
  • Average mass263.263 Da
  • Monoisotopic mass263.116913 Da
  • ChemSpider ID110545967

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,2R)-2-Fluoro-2-(hydroxyméthyl)-1-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)cyclopropanecarboxylate de méthyle [French] [ACD/IUPAC Name]
Cyclopropanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-fluoro-2-(hydroxymethyl)-, methyl ester, (1S,2R)- [ACD/Index Name]
Methyl (1S,2R)-2-fluoro-2-(hydroxymethyl)-1-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)cyclopropanecarboxylate [ACD/IUPAC Name]
Methyl-(1S,2R)-2-fluor-2-(hydroxymethyl)-1-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)cyclopropancarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 357.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.7±6.0 kJ/mol
Flash Point: 169.7±27.9 °C
Index of Refraction: 1.483
Molar Refractivity: 60.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.36
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 2.50
ACD/KOC (pH 5.5): 67.06
ACD/LogD (pH 7.4): 0.82
ACD/BCF (pH 7.4): 2.47
ACD/KOC (pH 7.4): 66.14
Polar Surface Area: 85 Å2
Polarizability: 23.8±0.5 10-24cm3
Surface Tension: 42.3±5.0 dyne/cm
Molar Volume: 209.9±5.0 cm3

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