ChemSpider 2D Image | 4-{[5-(3-Fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-2-butyn-1-yl 4-fluorobenzoate | C19H12F2N2O3S

4-{[5-(3-Fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-2-butyn-1-yl 4-fluorobenzoate

  • Molecular FormulaC19H12F2N2O3S
  • Average mass386.372 Da
  • Monoisotopic mass386.053680 Da
  • ChemSpider ID26361898

More details:

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

4-{[5-(3-Fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-2-butyn-1-yl 4-fluorobenzoate [ACD/IUPAC Name]
4-{[5-(3-Fluorphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-2-butin-1-yl-4-fluorbenzoat [German] [ACD/IUPAC Name]
4-Fluorobenzoate de 4-{[5-(3-fluorophényl)-1,3,4-oxadiazol-2-yl]sulfanyl}-2-butyn-1-yle [French] [ACD/IUPAC Name]
4-fluorobenzoic acid 4-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
Benzoic acid, 4-fluoro-, 4-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]thio]-2-butyn-1-yl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 559.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.2±3.0 kJ/mol
Flash Point: 292.0±32.9 °C
Index of Refraction: 1.630
Molar Refractivity: 95.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.05
ACD/LogD (pH 5.5): 4.68
ACD/BCF (pH 5.5): 2135.51
ACD/KOC (pH 5.5): 8411.13
ACD/LogD (pH 7.4): 4.68
ACD/BCF (pH 7.4): 2135.51
ACD/KOC (pH 7.4): 8411.13
Polar Surface Area: 91 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 66.2±5.0 dyne/cm
Molar Volume: 268.6±5.0 cm3

Click to predict properties on the Chemicalize site


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