ChemSpider 2D Image | 2-{5-[(2S)-3-Butyn-2-yloxy]-4-chloro-2-fluorophenyl}-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione | C18H15ClFNO3

2-{5-[(2S)-3-Butyn-2-yloxy]-4-chloro-2-fluorophenyl}-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione

  • Molecular FormulaC18H15ClFNO3
  • Average mass347.768 Da
  • Monoisotopic mass347.072449 Da
  • ChemSpider ID31115462

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Isoindole-1,3(2H)-dione, 2-[4-chloro-2-fluoro-5-[[(1S)-1-methyl-2-propyn-1-yl]oxy]phenyl]-4,5,6,7-tetrahydro- [ACD/Index Name]
2-{5-[(2S)-3-Butin-2-yloxy]-4-chlor-2-fluorphenyl}-4,5,6,7-tetrahydro-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-{5-[(2S)-3-Butyn-2-yloxy]-4-chloro-2-fluorophenyl}-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
2-{5-[(2S)-3-Butyn-2-yloxy]-4-chloro-2-fluorophényl}-4,5,6,7-tétrahydro-1H-isoindole-1,3(2H)-dione [French] [ACD/IUPAC Name]
(S)-flumipropyn
2-{5-[(2S)-but-3-yn-2-yloxy]-4-chloro-2-fluorophenyl}-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione

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

Density: 1.4±0.1 g/cm3
Boiling Point: 502.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.1±3.0 kJ/mol
Flash Point: 257.5±30.1 °C
Index of Refraction: 1.609
Molar Refractivity: 86.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 145.25
ACD/KOC (pH 5.5): 1228.13
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 145.25
ACD/KOC (pH 7.4): 1228.13
Polar Surface Area: 47 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 56.3±5.0 dyne/cm
Molar Volume: 249.3±5.0 cm3

Click to predict properties on the Chemicalize site


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