ChemSpider 2D Image | 2-Methyl-2-propanyl (2S,4R)-4-fluoro-2-formyl-1-pyrrolidinecarboxylate | C10H16FNO3

2-Methyl-2-propanyl (2S,4R)-4-fluoro-2-formyl-1-pyrrolidinecarboxylate

  • Molecular FormulaC10H16FNO3
  • Average mass217.237 Da
  • Monoisotopic mass217.111420 Da
  • ChemSpider ID28426030

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,4R)-4-Fluoro-2-formyl-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 4-fluoro-2-formyl-, 1,1-dimethylethyl ester, (2S,4R)- [ACD/Index Name]
2-Methyl-2-propanyl (2S,4R)-4-fluoro-2-formyl-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2S,4R)-4-fluor-2-formyl-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
(2S,4R)-tert-butyl 4-fluoro-2-formylpyrrolidine-1-carboxylate
1298101-70-8 [RN]
1299466-02-6 [RN]
MFCD22573267
tert-butyl (2S,4R)-4-fluoro-2-formylpyrrolidine-1-carboxylate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 284.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.4±3.0 kJ/mol
Flash Point: 126.1±27.3 °C
Index of Refraction: 1.466
Molar Refractivity: 52.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.61
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 7.16
ACD/KOC (pH 5.5): 142.48
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 7.16
ACD/KOC (pH 7.4): 142.48
Polar Surface Area: 47 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 35.8±5.0 dyne/cm
Molar Volume: 189.3±5.0 cm3

Click to predict properties on the Chemicalize site


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