ChemSpider 2D Image | (3R)-1-Benzyl-5-fluoro-3-hydroxy-3-[(1S,2E)-1-phenyl-2-penten-1-yl]-1,3-dihydro-2H-indol-2-one | C26H24FNO2

(3R)-1-Benzyl-5-fluoro-3-hydroxy-3-[(1S,2E)-1-phenyl-2-penten-1-yl]-1,3-dihydro-2H-indol-2-one

  • Molecular FormulaC26H24FNO2
  • Average mass401.473 Da
  • Monoisotopic mass401.179108 Da
  • ChemSpider ID30659279

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R)-1-Benzyl-5-fluor-3-hydroxy-3-[(1S,2E)-1-phenyl-2-penten-1-yl]-1,3-dihydro-2H-indol-2-on [German] [ACD/IUPAC Name]
(3R)-1-Benzyl-5-fluoro-3-hydroxy-3-[(1S,2E)-1-phenyl-2-penten-1-yl]-1,3-dihydro-2H-indol-2-one [ACD/IUPAC Name]
(3R)-1-Benzyl-5-fluoro-3-hydroxy-3-[(1S,2E)-1-phényl-2-pentén-1-yl]-1,3-dihydro-2H-indol-2-one [French] [ACD/IUPAC Name]
2H-Indol-2-one, 5-fluoro-1,3-dihydro-3-hydroxy-1-(phenylmethyl)-3-[(1S,2E)-1-phenyl-2-penten-1-yl]-, (3R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 614.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 325.2±31.5 °C
Index of Refraction: 1.638
Molar Refractivity: 115.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.82
ACD/LogD (pH 5.5): 4.75
ACD/BCF (pH 5.5): 2394.35
ACD/KOC (pH 5.5): 9128.90
ACD/LogD (pH 7.4): 4.75
ACD/BCF (pH 7.4): 2393.93
ACD/KOC (pH 7.4): 9127.29
Polar Surface Area: 41 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 322.7±3.0 cm3

Click to predict properties on the Chemicalize site


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