Found 60 results

Search term: MF = 'C_{13}H_{13}F_{4}NO_{3}S'
ChemSpider 2D Image | 3-Fluoro-N-[(2R,3R)-2-methyl-1,1-dioxidotetrahydro-3-thiophenyl]-4-(trifluoromethyl)benzamide | C13H13F4NO3S

3-Fluoro-N-[(2R,3R)-2-methyl-1,1-dioxidotetrahydro-3-thiophenyl]-4-(trifluoromethyl)benzamide

  • Molecular FormulaC13H13F4NO3S
  • Average mass339.306 Da
  • Monoisotopic mass339.055237 Da
  • ChemSpider ID67928594

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-Fluor-N-[(2R,3R)-2-methyl-1,1-dioxidotetrahydro-3-thiophenyl]-4-(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
3-Fluoro-N-[(2R,3R)-2-methyl-1,1-dioxidotetrahydro-3-thiophenyl]-4-(trifluoromethyl)benzamide [ACD/IUPAC Name]
3-Fluoro-N-[(2R,3R)-2-méthyl-1,1-dioxydotétrahydro-3-thiophényl]-4-(trifluorométhyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 3-fluoro-N-[(2R,3R)-tetrahydro-2-methyl-1,1-dioxido-3-thienyl]-4-(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: 479.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.3±3.0 kJ/mol
Flash Point: 243.5±28.7 °C
Index of Refraction: 1.518
Molar Refractivity: 70.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.53
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 5.38
ACD/KOC (pH 5.5): 116.13
ACD/LogD (pH 7.4): 1.26
ACD/BCF (pH 7.4): 5.38
ACD/KOC (pH 7.4): 116.12
Polar Surface Area: 72 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 43.0±5.0 dyne/cm
Molar Volume: 231.6±5.0 cm3

Click to predict properties on the Chemicalize site


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