ChemSpider 2D Image | CE-156811 | C22H26F3NO7

CE-156811

  • Molecular FormulaC22H26F3NO7
  • Average mass473.440 Da
  • Monoisotopic mass473.166138 Da
  • ChemSpider ID32702127

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2E)-3-{4-[(2R)-2-Cyclopropyl-2-fluorethoxy]-2,5-difluorphenyl}-2-methyl-N-[(3aR,4S,5S,6R,7S,7aS)-4,6,7-trihydroxyhexahydro-1,3-benzodioxol-5-yl]acrylamid [German] [ACD/IUPAC Name]
(2E)-3-{4-[(2R)-2-Cyclopropyl-2-fluoroethoxy]-2,5-difluorophenyl}-2-methyl-N-[(3aR,4S,5S,6R,7S,7aS)-4,6,7-trihydroxyhexahydro-1,3-benzodioxol-5-yl]acrylamide [ACD/IUPAC Name]
(2E)-3-{4-[(2R)-2-Cyclopropyl-2-fluoroéthoxy]-2,5-difluorophényl}-2-méthyl-N-[(3aR,4S,5S,6R,7S,7aS)-4,6,7-trihydroxyhexahydro-1,3-benzodioxol-5-yl]acrylamide [French] [ACD/IUPAC Name]
1053265-28-3 [RN]
2-Propenamide, 3-[4-[(2R)-2-cyclopropyl-2-fluoroethoxy]-2,5-difluorophenyl]-N-[(3aR,4S,5S,6R,7S,7aS)-hexahydro-4,6,7-trihydroxy-1,3-benzodioxol-5-yl]-2-methyl-, (2E)- [ACD/Index Name]
3J699WVT3X
CE-156811
UNII:3J699WVT3X
UNII-3J699WVT3X

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

Density: 1.5±0.1 g/cm3
Boiling Point: 721.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.6±3.0 kJ/mol
Flash Point: 389.9±32.9 °C
Index of Refraction: 1.588
Molar Refractivity: 108.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 16.40
ACD/KOC (pH 5.5): 257.76
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 16.40
ACD/KOC (pH 7.4): 257.76
Polar Surface Area: 117 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 59.2±5.0 dyne/cm
Molar Volume: 321.4±5.0 cm3

Click to predict properties on the Chemicalize site


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