ChemSpider 2D Image | [3-Fluoro-2'-methyl-4'-(3-{3-methyl-4-[(1E)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)-1-buten-1-yl]phenyl}-3-pentanyl)-4-biphenylyl]acetic acid | C32H31F7O3

[3-Fluoro-2'-methyl-4'-(3-{3-methyl-4-[(1E)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)-1-buten-1-yl]phenyl}-3-pentanyl)-4-biphenylyl]acetic acid

  • Molecular FormulaC32H31F7O3
  • Average mass596.576 Da
  • Monoisotopic mass596.216125 Da
  • ChemSpider ID13084667

  • Double-bond stereo - Double-bond stereo

More details:

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

[1,1'-Biphenyl]-4-acetic acid, 4'-[1-ethyl-1-[3-methyl-4-[(1E)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)-1-buten-1-yl]phenyl]propyl]-3-fluoro-2'-methyl- [ACD/Index Name]
[3-Fluor-2'-methyl-4'-(3-{3-methyl-4-[(1E)-4,4,4-trifluor-3-hydroxy-3-(trifluormethyl)-1-buten-1-yl]phenyl}-3-pentanyl)-4-biphenylyl]essigsäure [German] [ACD/IUPAC Name]
[3-Fluoro-2'-methyl-4'-(3-{3-methyl-4-[(1E)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)-1-buten-1-yl]phenyl}-3-pentanyl)-4-biphenylyl]acetic acid [ACD/IUPAC Name]
[3-Fluoro-2'-Methyl-4'-(3-{3-Methyl-4-[(1e)-4,4,4-Trifluoro-3-Hydroxy-3-(Trifluoromethyl)but-1-En-1-Yl]phenyl}pentan-3-Yl)biphenyl-4-Yl]acetic Acid
Acide [3-fluoro-2'-méthyl-4'-(3-{3-méthyl-4-[(1E)-4,4,4-trifluoro-3-hydroxy-3-(trifluorométhyl)-1-butén-1-yl]phényl}-3-pentanyl)-4-biphénylyl]acétique [French] [ACD/IUPAC Name]
115038-42-1 [RN]
DS4
GINSENOSIDE F11

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

Density: 1.3±0.1 g/cm3
Boiling Point: 611.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.4±3.0 kJ/mol
Flash Point: 323.3±31.5 °C
Index of Refraction: 1.537
Molar Refractivity: 146.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 11.08
ACD/LogD (pH 5.5): 7.70
ACD/BCF (pH 5.5): 183438.78
ACD/KOC (pH 5.5): 77261.27
ACD/LogD (pH 7.4): 5.94
ACD/BCF (pH 7.4): 3222.65
ACD/KOC (pH 7.4): 1357.33
Polar Surface Area: 58 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 469.5±3.0 cm3

Click to predict properties on the Chemicalize site


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