ChemSpider 2D Image | Acefluranol | C25H26F2O8

Acefluranol

  • Molecular FormulaC25H26F2O8
  • Average mass492.466 Da
  • Monoisotopic mass492.159576 Da
  • ChemSpider ID26286845
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2S,3R)-2,3-Pentandiylbis-6-fluorbenzol-4,1,2-triyl-tetraacetat [German] [ACD/IUPAC Name]
(2S,3R)-2,3-Pentanediylbis-6-fluorobenzene-4,1,2-triyl tetraacetate [ACD/IUPAC Name]
1,2-Benzenediol, 4,4'-[(1R,2S)-1-ethyl-2-methyl-1,2-ethanediyl]bis[6-fluoro-, tetraacetate [ACD/Index Name]
Acefluranol
Tetraacétate de (2S,3R)-2,3-pentanediylbis-6-fluorobenzène-4,1,2-triyle [French] [ACD/IUPAC Name]
80595-73-9 [RN]
UNII-3K0BN50QXD

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 530.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.6±3.0 kJ/mol
Flash Point: 264.8±25.0 °C
Index of Refraction: 1.521
Molar Refractivity: 119.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 4.06
ACD/BCF (pH 5.5): 719.28
ACD/KOC (pH 5.5): 3859.84
ACD/LogD (pH 7.4): 4.06
ACD/BCF (pH 7.4): 719.28
ACD/KOC (pH 7.4): 3859.84
Polar Surface Area: 105 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 392.9±3.0 cm3

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