Found 60 results

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

2-({2-[(2,2,3,3-Tetrafluoropropyl)carbamoyl]phenyl}sulfanyl)propanoic acid

  • Molecular FormulaC13H13F4NO3S
  • Average mass339.306 Da
  • Monoisotopic mass339.055237 Da
  • ChemSpider ID58025850

More details:

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

2-({2-[(2,2,3,3-Tetrafluoropropyl)carbamoyl]phenyl}sulfanyl)propanoic acid [ACD/IUPAC Name]
2-({2-[(2,2,3,3-Tetrafluorpropyl)carbamoyl]phenyl}sulfanyl)propansäure [German] [ACD/IUPAC Name]
Acide 2-({2-[(2,2,3,3-tétrafluoropropyl)carbamoyl]phényl}sulfanyl)propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 2-[[2-[[(2,2,3,3-tetrafluoropropyl)amino]carbonyl]phenyl]thio]- [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: 469.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.1±3.0 kJ/mol
Flash Point: 237.6±28.7 °C
Index of Refraction: 1.521
Molar Refractivity: 73.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.81
ACD/LogD (pH 7.4): -1.06
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: 44.5±5.0 dyne/cm
Molar Volume: 239.7±5.0 cm3

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