ChemSpider 2D Image | 2-{(Methylsulfonyl)[4-(trifluoromethyl)phenyl]amino}butanoic acid | C12H14F3NO4S

2-{(Methylsulfonyl)[4-(trifluoromethyl)phenyl]amino}butanoic acid

  • Molecular FormulaC12H14F3NO4S
  • Average mass325.304 Da
  • Monoisotopic mass325.059570 Da
  • ChemSpider ID35227330

More details:

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

2-{(Methylsulfonyl)[4-(trifluormethyl)phenyl]amino}butansäure [German] [ACD/IUPAC Name]
2-{(Methylsulfonyl)[4-(trifluoromethyl)phenyl]amino}butanoic acid [ACD/IUPAC Name]
Acide 2-{(méthylsulfonyl)[4-(trifluorométhyl)phényl]amino}butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-[(methylsulfonyl)[4-(trifluoromethyl)phenyl]amino]- [ACD/Index Name]
1858240-17-1 [RN]
2-((MEthylsulfonyl)[4-(trifluoromethyl)phenyl]amino)butanoic acid
2-(N-(4-(trifluoromethyl)phenyl)methylsulfonamido)butanoic acid
butanoic acid, 2-[(methylsulfonyl)[4-(trifluoromethyl)phenyl]amino]
MFCD28954506

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 440.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 73.5±3.0 kJ/mol
    Flash Point: 220.2±31.5 °C
    Index of Refraction: 1.523
    Molar Refractivity: 69.2±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.51
    ACD/LogD (pH 5.5): -0.22
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.58
    ACD/LogD (pH 7.4): -1.53
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 83 Å2
    Polarizability: 27.4±0.5 10-24cm3
    Surface Tension: 45.5±3.0 dyne/cm
    Molar Volume: 226.5±3.0 cm3

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