ChemSpider 2D Image | 1-(2-Methyl-5-{(2R,3S)-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-3-yl}-3-furyl)ethanone | C22H17F3O3

1-(2-Methyl-5-{(2R,3S)-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-3-yl}-3-furyl)ethanone

  • Molecular FormulaC22H17F3O3
  • Average mass386.364 Da
  • Monoisotopic mass386.112976 Da
  • ChemSpider ID75569981

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-(2-Methyl-5-{(2R,3S)-2-[4-(trifluormethyl)phenyl]-2,3-dihydro-1-benzofuran-3-yl}-3-furyl)ethanon [German] [ACD/IUPAC Name]
1-(2-Methyl-5-{(2R,3S)-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-3-yl}-3-furyl)ethanone [ACD/IUPAC Name]
1-(2-Méthyl-5-{(2R,3S)-2-[4-(trifluorométhyl)phényl]-2,3-dihydro-1-benzofuran-3-yl}-3-furyl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[5-[(2R,3S)-2,3-dihydro-2-[4-(trifluoromethyl)phenyl]-3-benzofuranyl]-2-methyl-3-furanyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 429.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.5±3.0 kJ/mol
Flash Point: 213.7±28.7 °C
Index of Refraction: 1.552
Molar Refractivity: 96.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.75
ACD/LogD (pH 5.5): 5.27
ACD/BCF (pH 5.5): 5973.64
ACD/KOC (pH 5.5): 17564.01
ACD/LogD (pH 7.4): 5.27
ACD/BCF (pH 7.4): 5973.64
ACD/KOC (pH 7.4): 17564.01
Polar Surface Area: 39 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 302.0±3.0 cm3

Click to predict properties on the Chemicalize site


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