ChemSpider 2D Image | {(3S,8S)-3-[3-(Trifluoromethyl)phenyl]-2,3,7,8-tetrahydrofuro[2,3-g][1,4]benzodioxin-8-yl}acetic acid | C19H15F3O5

{(3S,8S)-3-[3-(Trifluoromethyl)phenyl]-2,3,7,8-tetrahydrofuro[2,3-g][1,4]benzodioxin-8-yl}acetic acid

  • Molecular FormulaC19H15F3O5
  • Average mass380.315 Da
  • Monoisotopic mass380.087158 Da
  • ChemSpider ID30817642

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{(3S,8S)-3-[3-(Trifluormethyl)phenyl]-2,3,7,8-tetrahydrofuro[2,3-g][1,4]benzodioxin-8-yl}essigsäure [German] [ACD/IUPAC Name]
{(3S,8S)-3-[3-(Trifluoromethyl)phenyl]-2,3,7,8-tetrahydrofuro[2,3-g][1,4]benzodioxin-8-yl}acetic acid [ACD/IUPAC Name]
Acide {(3S,8S)-3-[3-(trifluorométhyl)phényl]-2,3,7,8-tétrahydrofuro[2,3-g][1,4]benzodioxin-8-yl}acétique [French] [ACD/IUPAC Name]
Furo[2,3-g]-1,4-benzodioxin-8-acetic acid, 2,3,7,8-tetrahydro-3-[3-(trifluoromethyl)phenyl]-, (3S,8S)- [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: 487.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.4±3.0 kJ/mol
Flash Point: 248.9±28.7 °C
Index of Refraction: 1.558
Molar Refractivity: 86.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 13.65
ACD/KOC (pH 5.5): 102.22
ACD/LogD (pH 7.4): 0.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.66
Polar Surface Area: 65 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 268.4±3.0 cm3

Click to predict properties on the Chemicalize site


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