Found 60 results

Search term: MF = 'C_{13}H_{13}F_{4}NO_{3}S'
ChemSpider 2D Image | 4,4,4-Trifluoro-2-({3-[(4-fluorophenyl)sulfanyl]propanoyl}amino)butanoic acid | C13H13F4NO3S

4,4,4-Trifluoro-2-({3-[(4-fluorophenyl)sulfanyl]propanoyl}amino)butanoic acid

  • Molecular FormulaC13H13F4NO3S
  • Average mass339.306 Da
  • Monoisotopic mass339.055237 Da
  • ChemSpider ID57857935

More details:

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

4,4,4-Trifluor-2-({3-[(4-fluorphenyl)sulfanyl]propanoyl}amino)butansäure [German] [ACD/IUPAC Name]
4,4,4-Trifluoro-2-({3-[(4-fluorophenyl)sulfanyl]propanoyl}amino)butanoic acid [ACD/IUPAC Name]
Acide 4,4,4-trifluoro-2-({3-[(4-fluorophényl)sulfanyl]propanoyl}amino)butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4,4,4-trifluoro-2-[[3-[(4-fluorophenyl)thio]-1-oxopropyl]amino]- [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: 499.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 255.9±28.7 °C
Index of Refraction: 1.523
Molar Refractivity: 73.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.02
ACD/LogD (pH 5.5): -0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 45.5±5.0 dyne/cm
Molar Volume: 239.1±5.0 cm3

Click to predict properties on the Chemicalize site


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