ChemSpider 2D Image | (3R)-1-(5-{[(1S)-1-(4-Chloro-3-methylphenyl)-2,2,2-trifluoroethyl]amino}-2-methylbenzyl)-3-pyrrolidinecarboxylic acid | C22H24ClF3N2O2

(3R)-1-(5-{[(1S)-1-(4-Chloro-3-methylphenyl)-2,2,2-trifluoroethyl]amino}-2-methylbenzyl)-3-pyrrolidinecarboxylic acid

  • Molecular FormulaC22H24ClF3N2O2
  • Average mass440.886 Da
  • Monoisotopic mass440.147827 Da
  • ChemSpider ID58885836

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R)-1-(5-{[(1S)-1-(4-Chlor-3-methylphenyl)-2,2,2-trifluorethyl]amino}-2-methylbenzyl)-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
(3R)-1-(5-{[(1S)-1-(4-Chloro-3-methylphenyl)-2,2,2-trifluoroethyl]amino}-2-methylbenzyl)-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 1-[[5-[[(1S)-1-(4-chloro-3-methylphenyl)-2,2,2-trifluoroethyl]amino]-2-methylphenyl]methyl]-, (3R)- [ACD/Index Name]
Acide (3R)-1-(5-{[(1S)-1-(4-chloro-3-méthylphényl)-2,2,2-trifluoroéthyl]amino}-2-méthylbenzyl)-3-pyrrolidinecarboxylique [French] [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: 527.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 273.0±30.1 °C
Index of Refraction: 1.591
Molar Refractivity: 111.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 8.26
ACD/KOC (pH 5.5): 30.62
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 8.20
ACD/KOC (pH 7.4): 30.42
Polar Surface Area: 53 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 328.6±3.0 cm3

Click to predict properties on the Chemicalize site


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