ChemSpider 2D Image | 1-(3-{[(1S)-1-(4-Chloro-3-methylphenyl)-2,2,2-trifluoroethyl]amino}-2,6-dimethylbenzyl)-3-azetidinecarboxylic acid | C22H24ClF3N2O2

1-(3-{[(1S)-1-(4-Chloro-3-methylphenyl)-2,2,2-trifluoroethyl]amino}-2,6-dimethylbenzyl)-3-azetidinecarboxylic acid

  • Molecular FormulaC22H24ClF3N2O2
  • Average mass440.886 Da
  • Monoisotopic mass440.147827 Da
  • ChemSpider ID58886970

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-(3-{[(1S)-1-(4-Chlor-3-methylphenyl)-2,2,2-trifluorethyl]amino}-2,6-dimethylbenzyl)-3-azetidincarbonsäure [German] [ACD/IUPAC Name]
1-(3-{[(1S)-1-(4-Chloro-3-methylphenyl)-2,2,2-trifluoroethyl]amino}-2,6-dimethylbenzyl)-3-azetidinecarboxylic acid [ACD/IUPAC Name]
3-Azetidinecarboxylic acid, 1-[[3-[[(1S)-1-(4-chloro-3-methylphenyl)-2,2,2-trifluoroethyl]amino]-2,6-dimethylphenyl]methyl]- [ACD/Index Name]
Acide 1-(3-{[(1S)-1-(4-chloro-3-méthylphényl)-2,2,2-trifluoroéthyl]amino}-2,6-diméthylbenzyl)-3-azétidinecarboxylique [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: 527.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 272.5±30.1 °C
Index of Refraction: 1.595
Molar Refractivity: 111.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 13.15
ACD/KOC (pH 5.5): 42.86
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 13.04
ACD/KOC (pH 7.4): 42.51
Polar Surface Area: 53 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 51.2±3.0 dyne/cm
Molar Volume: 327.2±3.0 cm3

Click to predict properties on the Chemicalize site


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