ChemSpider 2D Image | [1-(4-Chloro-3-{[(2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino}phenyl)cyclobutyl]acetic acid | C23H22Cl2F3NO3

[1-(4-Chloro-3-{[(2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino}phenyl)cyclobutyl]acetic acid

  • Molecular FormulaC23H22Cl2F3NO3
  • Average mass488.327 Da
  • Monoisotopic mass487.092896 Da
  • ChemSpider ID129224551

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[1-(4-Chlor-3-{[(2S,3R)-2-(4-chlorphenyl)-4,4,4-trifluor-3-methylbutanoyl]amino}phenyl)cyclobutyl]essigsäure [German] [ACD/IUPAC Name]
[1-(4-Chloro-3-{[(2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino}phenyl)cyclobutyl]acetic acid [ACD/IUPAC Name]
Acide [1-(4-chloro-3-{[(2S,3R)-2-(4-chlorophényl)-4,4,4-trifluoro-3-méthylbutanoyl]amino}phényl)cyclobutyl]acétique [French] [ACD/IUPAC Name]
Cyclobutaneacetic acid, 1-[4-chloro-3-[[(2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methyl-1-oxobutyl]amino]phenyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 614.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 325.5±31.5 °C
Index of Refraction: 1.579
Molar Refractivity: 116.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.75
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 1296.55
ACD/KOC (pH 5.5): 3391.32
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 20.60
ACD/KOC (pH 7.4): 53.88
Polar Surface Area: 66 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 350.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement