Found 60 results

Search term: MF = 'C_{13}H_{13}F_{4}NO_{3}S'
ChemSpider 2D Image | 3-(4-Fluorophenyl)-3-({[(2,2,2-trifluoroethyl)sulfanyl]acetyl}amino)propanoic acid | C13H13F4NO3S

3-(4-Fluorophenyl)-3-({[(2,2,2-trifluoroethyl)sulfanyl]acetyl}amino)propanoic acid

  • Molecular FormulaC13H13F4NO3S
  • Average mass339.306 Da
  • Monoisotopic mass339.055237 Da
  • ChemSpider ID54565909

More details:

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

3-(4-Fluorophenyl)-3-({[(2,2,2-trifluoroethyl)sulfanyl]acetyl}amino)propanoic acid [ACD/IUPAC Name]
3-(4-Fluorphenyl)-3-({[(2,2,2-trifluorethyl)sulfanyl]acetyl}amino)propansäure [German] [ACD/IUPAC Name]
Acide 3-(4-fluorophényl)-3-({2-[(2,2,2-trifluoroéthyl)sulfanyl]acétyl}amino)propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 4-fluoro-β-[[2-[(2,2,2-trifluoroethyl)thio]acetyl]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: 472.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.4±3.0 kJ/mol
Flash Point: 239.4±28.7 °C
Index of Refraction: 1.515
Molar Refractivity: 72.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.90
ACD/LogD (pH 5.5): 0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.83
ACD/LogD (pH 7.4): -1.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 240.7±3.0 cm3

Click to predict properties on the Chemicalize site


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