ChemSpider 2D Image | 3-{1-[(4-Fluoro-2-methylphenyl)sulfonyl]-3-pyrrolidinyl}-5-(trifluoromethyl)-1,2,4-oxadiazole | C14H13F4N3O3S

3-{1-[(4-Fluoro-2-methylphenyl)sulfonyl]-3-pyrrolidinyl}-5-(trifluoromethyl)-1,2,4-oxadiazole

  • Molecular FormulaC14H13F4N3O3S
  • Average mass379.330 Da
  • Monoisotopic mass379.061371 Da
  • ChemSpider ID39526706

More details:

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

1,2,4-Oxadiazole, 3-[1-[(4-fluoro-2-methylphenyl)sulfonyl]-3-pyrrolidinyl]-5-(trifluoromethyl)- [ACD/Index Name]
3-{1-[(4-Fluor-2-methylphenyl)sulfonyl]-3-pyrrolidinyl}-5-(trifluormethyl)-1,2,4-oxadiazol [German] [ACD/IUPAC Name]
3-{1-[(4-Fluoro-2-methylphenyl)sulfonyl]-3-pyrrolidinyl}-5-(trifluoromethyl)-1,2,4-oxadiazole [ACD/IUPAC Name]
3-{1-[(4-Fluoro-2-méthylphényl)sulfonyl]-3-pyrrolidinyl}-5-(trifluorométhyl)-1,2,4-oxadiazole [French] [ACD/IUPAC Name]
2034373-93-6 [RN]
3-(1-((4-fluoro-2-methylphenyl)sulfonyl)pyrrolidin-3-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole
3-[1-(4-fluoro-2-methylbenzenesulfonyl)pyrrolidin-3-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole

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

Density: 1.5±0.1 g/cm3
Boiling Point: 447.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.6±3.0 kJ/mol
Flash Point: 224.4±31.5 °C
Index of Refraction: 1.529
Molar Refractivity: 78.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.00
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 75.35
ACD/KOC (pH 5.5): 767.73
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 75.35
ACD/KOC (pH 7.4): 767.73
Polar Surface Area: 85 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 254.5±3.0 cm3

Click to predict properties on the Chemicalize site


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