ChemSpider 2D Image | (2S)-(Dimethylamino)(2-fluorophenyl)acetic acid | C10H12FNO2

(2S)-(Dimethylamino)(2-fluorophenyl)acetic acid

  • Molecular FormulaC10H12FNO2
  • Average mass197.206 Da
  • Monoisotopic mass197.085205 Da
  • ChemSpider ID62853805
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-(Dimethylamino)(2-fluorophenyl)acetic acid [ACD/IUPAC Name]
(2S)-(Dimethylamino)(2-fluorphenyl)essigsäure [German] [ACD/IUPAC Name]
Acide (2S)-(diméthylamino)(2-fluorophényl)acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-(dimethylamino)-2-fluoro-, (αS)- [ACD/Index Name]
(S)-2-(DIMETHYLAMINO)-2-(2-FLUOROPHENYL)ACETIC ACID
1007879-72-2 [RN]
MFCD20482391

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 260.0±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.6±3.0 kJ/mol
    Flash Point: 111.0±24.6 °C
    Index of Refraction: 1.534
    Molar Refractivity: 50.3±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.88
    ACD/LogD (pH 5.5): -1.00
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.04
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 41 Å2
    Polarizability: 20.0±0.5 10-24cm3
    Surface Tension: 43.7±3.0 dyne/cm
    Molar Volume: 162.1±3.0 cm3

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