Found 4 results

Search term: AJTJCPRPZUUJPS (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3S,4R)-3-Fluoro-4-methylpiperidine | C6H12FN

(3S,4R)-3-Fluoro-4-methylpiperidine

  • Molecular FormulaC6H12FN
  • Average mass117.165 Da
  • Monoisotopic mass117.095375 Da
  • ChemSpider ID60710949

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4R)-3-Fluor-4-methylpiperidin [German] [ACD/IUPAC Name]
(3S,4R)-3-Fluoro-4-methylpiperidine [ACD/IUPAC Name]
(3S,4R)-3-Fluoro-4-méthylpipéridine [French] [ACD/IUPAC Name]
Piperidine, 3-fluoro-4-methyl-, (3S,4R)- [ACD/Index Name]

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 135.1±33.0 °C at 760 mmHg
    Vapour Pressure: 7.8±0.2 mmHg at 25°C
    Enthalpy of Vaporization: 37.3±3.0 kJ/mol
    Flash Point: 35.5±25.4 °C
    Index of Refraction: 1.425
    Molar Refractivity: 31.5±0.4 cm3
    #H bond acceptors: 1
    #H bond donors: 1
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 1.05
    ACD/LogD (pH 5.5): -1.69
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.17
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 4.75
    Polar Surface Area: 12 Å2
    Polarizability: 12.5±0.5 10-24cm3
    Surface Tension: 24.4±5.0 dyne/cm
    Molar Volume: 123.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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