ChemSpider 2D Image | (3aR,4R,9aS)-4-{(E)-2-[5-(3-Fluorophenyl)-2-pyridinyl]vinyl}-3a,4,9,9a-tetrahydronaphtho[2,3-c]furan-1(3H)-one | C25H20FNO2

(3aR,4R,9aS)-4-{(E)-2-[5-(3-Fluorophenyl)-2-pyridinyl]vinyl}-3a,4,9,9a-tetrahydronaphtho[2,3-c]furan-1(3H)-one

  • Molecular FormulaC25H20FNO2
  • Average mass385.430 Da
  • Monoisotopic mass385.147797 Da
  • ChemSpider ID23295108

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3aR,4R,9aS)-4-{(E)-2-[5-(3-Fluorophenyl)-2-pyridinyl]vinyl}-3a,4,9,9a-tetrahydronaphtho[2,3-c]furan-1(3H)-one [ACD/IUPAC Name]
(3aR,4R,9aS)-4-{(E)-2-[5-(3-Fluorophényl)-2-pyridinyl]vinyl}-3a,4,9,9a-tétrahydronaphto[2,3-c]furan-1(3H)-one [French] [ACD/IUPAC Name]
(3aR,4R,9aS)-4-{(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl}-3a,4,9,9a-tetrahydronaphtho[2,3-c]furan-1(3H)-one
(3aR,4R,9aS)-4-{(E)-2-[5-(3-Fluorphenyl)-2-pyridinyl]vinyl}-3a,4,9,9a-tetrahydronaphtho[2,3-c]furan-1(3H)-on [German] [ACD/IUPAC Name]
Naphtho[2,3-c]furan-1(3H)-one, 4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3a,4,9,9a-tetrahydro-, (3aR,4R,9aS)- [ACD/Index Name]
(3aR,4R,9aS,E)-4-(2-(5-(3-fluorophenyl)pyridin-2-yl)vinyl)-3a,4,9,9a-tetrahydronaphtho[2,3-c]furan-1(3H)-one
CHEMBL234397

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

Density: 1.3±0.1 g/cm3
Boiling Point: 602.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 318.4±31.5 °C
Index of Refraction: 1.673
Molar Refractivity: 112.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.40
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 1452.01
ACD/KOC (pH 5.5): 6341.59
ACD/LogD (pH 7.4): 4.48
ACD/BCF (pH 7.4): 1484.16
ACD/KOC (pH 7.4): 6482.01
Polar Surface Area: 39 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 56.4±3.0 dyne/cm
Molar Volume: 298.9±3.0 cm3

Click to predict properties on the Chemicalize site


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