ChemSpider 2D Image | (2R,3S)-2-(4-Biphenylyl)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propanoic acid | C22H17F3O3

(2R,3S)-2-(4-Biphenylyl)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propanoic acid

  • Molecular FormulaC22H17F3O3
  • Average mass386.364 Da
  • Monoisotopic mass386.112976 Da
  • ChemSpider ID58805412

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3S)-2-(4-Biphenylyl)-3-hydroxy-3-[4-(trifluormethyl)phenyl]propansäure [German] [ACD/IUPAC Name]
(2R,3S)-2-(4-Biphenylyl)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propanoic acid [ACD/IUPAC Name]
Acide (2R,3S)-2-(4-biphénylyl)-3-hydroxy-3-[4-(trifluorométhyl)phényl]propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-[1,1'-biphenyl]-4-yl-β-hydroxy-4-(trifluoromethyl)-, (αR,βS)- [ACD/Index Name]
(2R,3S)-2-([1,1'-Biphenyl]-4-yl)-3-hydroxy-3-(4-(trifluoromethyl)phenyl)propanoic acid
141901-74-8 [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: 500.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 256.5±30.1 °C
Index of Refraction: 1.583
Molar Refractivity: 97.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.47
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 12.38
ACD/KOC (pH 5.5): 58.24
ACD/LogD (pH 7.4): 0.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.68
Polar Surface Area: 58 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 291.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement