ChemSpider 2D Image | 7-({3-Fluoro-5-[(1S,3S,5R)-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-3-yl]phenoxy}methyl)-4-(3-furyl)-2-quinolinecarbonitrile | C27H21FN2O5

7-({3-Fluoro-5-[(1S,3S,5R)-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-3-yl]phenoxy}methyl)-4-(3-furyl)-2-quinolinecarbonitrile

  • Molecular FormulaC27H21FN2O5
  • Average mass472.464 Da
  • Monoisotopic mass472.143463 Da
  • ChemSpider ID23269746

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

7-({3-Fluor-5-[(1S,3S,5R)-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-3-yl]phenoxy}methyl)-4-(3-furyl)-2-chinolincarbonitril [German] [ACD/IUPAC Name]
7-({3-Fluoro-5-[(1S,3S,5R)-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-3-yl]phénoxy}méthyl)-4-(3-furyl)-2-quinoléinecarbonitrile [French] [ACD/IUPAC Name]
7-({3-Fluoro-5-[(1S,3S,5R)-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-3-yl]phenoxy}methyl)-4-(3-furyl)-2-quinolinecarbonitrile [ACD/IUPAC Name]
7-({3-fluoro-5-[(1S,3S,5R)-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-3-yl]phenoxy}methyl)-4-(furan-3-yl)quinoline-2-carbonitrile (non-preferred name)
7-((3-fluoro-5-((1S,3S,5R)-3-hydroxy-6,8-dioxa-bicyclo[3.2.1]octan-3-yl)phenoxy)methyl)-4-(furan-3-yl)quinoline-2-carbonitrile
L-746530

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

Density: 1.5±0.1 g/cm3
Boiling Point: 697.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.3±3.0 kJ/mol
Flash Point: 375.6±31.5 °C
Index of Refraction: 1.688
Molar Refractivity: 123.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 3.53
ACD/BCF (pH 5.5): 282.32
ACD/KOC (pH 5.5): 1976.29
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 282.33
ACD/KOC (pH 7.4): 1976.30
Polar Surface Area: 98 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 73.5±5.0 dyne/cm
Molar Volume: 324.5±5.0 cm3

Click to predict properties on the Chemicalize site


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