ChemSpider 2D Image | (5R)-5-[3,5-Bis(trifluoromethyl)phenyl]-3-{[4'-fluoro-5'-isopropyl-2'-methoxy-4-(trifluoromethyl)-2-biphenylyl]methyl}-1,3-oxazolidin-2-one | C29H23F10NO3

(5R)-5-[3,5-Bis(trifluoromethyl)phenyl]-3-{[4'-fluoro-5'-isopropyl-2'-methoxy-4-(trifluoromethyl)-2-biphenylyl]methyl}-1,3-oxazolidin-2-one

  • Molecular FormulaC29H23F10NO3
  • Average mass623.482 Da
  • Monoisotopic mass623.151855 Da
  • ChemSpider ID26632030

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5R)-5-[3,5-Bis(trifluormethyl)phenyl]-3-{[4'-fluor-5'-isopropyl-2'-methoxy-4-(trifluormethyl)-2-biphenylyl]methyl}-1,3-oxazolidin-2-on [German] [ACD/IUPAC Name]
(5R)-5-[3,5-Bis(trifluoromethyl)phenyl]-3-{[4'-fluoro-5'-isopropyl-2'-methoxy-4-(trifluoromethyl)-2-biphenylyl]methyl}-1,3-oxazolidin-2-one [ACD/IUPAC Name]
(5R)-5-[3,5-Bis(trifluorométhyl)phényl]-3-{[4'-fluoro-5'-isopropyl-2'-méthoxy-4-(trifluorométhyl)-2-biphénylyl]méthyl}-1,3-oxazolidin-2-one [French] [ACD/IUPAC Name]
2-Oxazolidinone, 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[4'-fluoro-2'-methoxy-5'-(1-methylethyl)-4-(trifluoromethyl)[1,1'-biphenyl]-2-yl]methyl]-, (5R)- [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: 548.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 285.7±30.1 °C
Index of Refraction: 1.498
Molar Refractivity: 133.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 8.32
ACD/LogD (pH 5.5): 8.00
ACD/BCF (pH 5.5): 711691.19
ACD/KOC (pH 5.5): 537824.31
ACD/LogD (pH 7.4): 8.00
ACD/BCF (pH 7.4): 711691.19
ACD/KOC (pH 7.4): 537824.31
Polar Surface Area: 39 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 34.3±3.0 dyne/cm
Molar Volume: 453.9±3.0 cm3

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