ChemSpider 2D Image | 1-[(4S)-4-Fluoro-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-2-pyrrolidinyl]cyclopropanecarboxylic acid | C13H20FNO4

1-[(4S)-4-Fluoro-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-2-pyrrolidinyl]cyclopropanecarboxylic acid

  • Molecular FormulaC13H20FNO4
  • Average mass273.301 Da
  • Monoisotopic mass273.137634 Da
  • ChemSpider ID65755249

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

1-[(4S)-4-Fluor-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-2-pyrrolidinyl]cyclopropancarbonsäure [German] [ACD/IUPAC Name]
1-[(4S)-4-Fluoro-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-2-pyrrolidinyl]cyclopropanecarboxylic acid [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 2-(1-carboxycyclopropyl)-4-fluoro-, 1-(1,1-dimethylethyl) ester, (4S)- [ACD/Index Name]
Acide 1-[(4S)-4-fluoro-1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-2-pyrrolidinyl]cyclopropanecarboxylique [French] [ACD/IUPAC Name]
1-[(4S)-1-[(tert-butoxy)carbonyl]-4-fluoropyrrolidin-2-yl]cyclopropane-1-carboxylic acid
2227964-04-5 [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: 384.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 69.5±6.0 kJ/mol
Flash Point: 186.5±27.9 °C
Index of Refraction: 1.516
Molar Refractivity: 65.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.10
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.31
ACD/LogD (pH 7.4): -1.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 67 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 45.3±5.0 dyne/cm
Molar Volume: 217.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement