ChemSpider 2D Image | (2E)-3-{2,5-Difluoro-4-[(1-fluorocyclobutyl)methoxy]phenyl}-2-methyl-N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxyhexahydro-1,3-benzodioxol-5-yl]acrylamide | C22H26F3NO7

(2E)-3-{2,5-Difluoro-4-[(1-fluorocyclobutyl)methoxy]phenyl}-2-methyl-N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxyhexahydro-1,3-benzodioxol-5-yl]acrylamide

  • Molecular FormulaC22H26F3NO7
  • Average mass473.440 Da
  • Monoisotopic mass473.166138 Da
  • ChemSpider ID26381195

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2E)-3-{2,5-Difluor-4-[(1-fluorcyclobutyl)methoxy]phenyl}-2-methyl-N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxyhexahydro-1,3-benzodioxol-5-yl]acrylamid [German] [ACD/IUPAC Name]
(2E)-3-{2,5-Difluoro-4-[(1-fluorocyclobutyl)methoxy]phenyl}-2-methyl-N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxyhexahydro-1,3-benzodioxol-5-yl]acrylamide [ACD/IUPAC Name]
(2E)-3-{2,5-Difluoro-4-[(1-fluorocyclobutyl)méthoxy]phényl}-2-méthyl-N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxyhexahydro-1,3-benzodioxol-5-yl]acrylamide [French] [ACD/IUPAC Name]
2-Propenamide, 3-[2,5-difluoro-4-[(1-fluorocyclobutyl)methoxy]phenyl]-N-[(3aS,4R,5R,6S,7R,7aR)-hexahydro-4,6,7-trihydroxy-1,3-benzodioxol-5-yl]-2-methyl-, (2E)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 715.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.8±3.0 kJ/mol
Flash Point: 386.6±32.9 °C
Index of Refraction: 1.590
Molar Refractivity: 108.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 1.73
ACD/BCF (pH 5.5): 12.12
ACD/KOC (pH 5.5): 207.59
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 12.12
ACD/KOC (pH 7.4): 207.59
Polar Surface Area: 117 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 59.9±5.0 dyne/cm
Molar Volume: 320.6±5.0 cm3

Click to predict properties on the Chemicalize site


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