ChemSpider 2D Image | 2-Methyl-2-propanyl (2S)-2-[(1R)-2,2,3,3,4,4,5,5,5-nonafluoro-1-hydroxypentyl]-1-pyrrolidinecarboxylate | C14H18F9NO3

2-Methyl-2-propanyl (2S)-2-[(1R)-2,2,3,3,4,4,5,5,5-nonafluoro-1-hydroxypentyl]-1-pyrrolidinecarboxylate

  • Molecular FormulaC14H18F9NO3
  • Average mass419.283 Da
  • Monoisotopic mass419.114288 Da
  • ChemSpider ID30658683

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-[(1R)-2,2,3,3,4,4,5,5,5-Nonafluoro-1-hydroxypentyl]-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 2-[(1R)-2,2,3,3,4,4,5,5,5-nonafluoro-1-hydroxypentyl]-, 1,1-dimethylethyl ester, (2S)- [ACD/Index Name]
2-Methyl-2-propanyl (2S)-2-[(1R)-2,2,3,3,4,4,5,5,5-nonafluoro-1-hydroxypentyl]-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2S)-2-[(1R)-2,2,3,3,4,4,5,5,5-nonafluor-1-hydroxypentyl]-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 333.5±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 66.8±6.0 kJ/mol
Flash Point: 155.5±26.5 °C
Index of Refraction: 1.402
Molar Refractivity: 72.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.48
ACD/LogD (pH 5.5): 4.19
ACD/BCF (pH 5.5): 905.96
ACD/KOC (pH 5.5): 4553.03
ACD/LogD (pH 7.4): 4.19
ACD/BCF (pH 7.4): 905.95
ACD/KOC (pH 7.4): 4552.95
Polar Surface Area: 50 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 28.4±3.0 dyne/cm
Molar Volume: 298.8±3.0 cm3

Click to predict properties on the Chemicalize site


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