ChemSpider 2D Image | (3S,4S)-1-[4,4-Bis(4-fluorophenyl)butyl]-4-methyl-3-pyrrolidinecarboxylic acid | C22H25F2NO2

(3S,4S)-1-[4,4-Bis(4-fluorophenyl)butyl]-4-methyl-3-pyrrolidinecarboxylic acid

  • Molecular FormulaC22H25F2NO2
  • Average mass373.436 Da
  • Monoisotopic mass373.185333 Da
  • ChemSpider ID58096350

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4S)-1-[4,4-Bis(4-fluorophenyl)butyl]-4-methyl-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
(3S,4S)-1-[4,4-Bis(4-fluorphenyl)butyl]-4-methyl-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 1-[4,4-bis(4-fluorophenyl)butyl]-4-methyl-, (3S,4S)- [ACD/Index Name]
Acide (3S,4S)-1-[4,4-bis(4-fluorophényl)butyl]-4-méthyl-3-pyrrolidinecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 515.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 265.3±30.1 °C
Index of Refraction: 1.548
Molar Refractivity: 100.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 3.79
ACD/KOC (pH 5.5): 17.51
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 3.85
ACD/KOC (pH 7.4): 17.78
Polar Surface Area: 41 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 315.6±3.0 cm3

Click to predict properties on the Chemicalize site


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