ChemSpider 2D Image | 4-Fluoro-N-[trans-3-(phenylsulfonyl)cyclobutyl]-3-(trifluoromethyl)benzamide | C18H15F4NO3S

4-Fluoro-N-[trans-3-(phenylsulfonyl)cyclobutyl]-3-(trifluoromethyl)benzamide

  • Molecular FormulaC18H15F4NO3S
  • Average mass401.375 Da
  • Monoisotopic mass401.070862 Da
  • ChemSpider ID77483142

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-Fluor-N-[trans-3-(phenylsulfonyl)cyclobutyl]-3-(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
4-Fluoro-N-[trans-3-(phenylsulfonyl)cyclobutyl]-3-(trifluoromethyl)benzamide [ACD/IUPAC Name]
4-Fluoro-N-[trans-3-(phénylsulfonyl)cyclobutyl]-3-(trifluorométhyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-fluoro-N-[trans-3-(phenylsulfonyl)cyclobutyl]-3-(trifluoromethyl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 540.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.8±3.0 kJ/mol
Flash Point: 280.5±30.1 °C
Index of Refraction: 1.572
Molar Refractivity: 90.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 119.61
ACD/KOC (pH 5.5): 1068.76
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 119.61
ACD/KOC (pH 7.4): 1068.75
Polar Surface Area: 72 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 49.2±5.0 dyne/cm
Molar Volume: 274.4±5.0 cm3

Click to predict properties on the Chemicalize site


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