ChemSpider 2D Image | (3,4-difluoro-5-(4-methylpiperidin-1-yl)phenyl)boronic acid | C12H16BF2NO2

(3,4-difluoro-5-(4-methylpiperidin-1-yl)phenyl)boronic acid

  • Molecular FormulaC12H16BF2NO2
  • Average mass255.069 Da
  • Monoisotopic mass255.124222 Da
  • ChemSpider ID32076540

More details:

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

(3,4-difluoro-5-(4-methylpiperidin-1-yl)phenyl)boronic acid
[3,4-Difluor-5-(4-methyl-1-piperidinyl)phenyl]borsäure [German] [ACD/IUPAC Name]
[3,4-Difluoro-5-(4-methyl-1-piperidinyl)phenyl]boronic acid [ACD/IUPAC Name]
1704067-16-2 [RN]
Acide [3,4-difluoro-5-(4-méthyl-1-pipéridinyl)phényl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[3,4-difluoro-5-(4-methyl-1-piperidinyl)phenyl]- [ACD/Index Name]
351003-50-4 [RN]
MFCD28384252

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 415.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 70.4±3.0 kJ/mol
    Flash Point: 204.8±31.5 °C
    Index of Refraction: 1.534
    Molar Refractivity: 63.1±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.47
    ACD/LogD (pH 5.5): 2.97
    ACD/BCF (pH 5.5): 104.31
    ACD/KOC (pH 5.5): 952.94
    ACD/LogD (pH 7.4): 2.71
    ACD/BCF (pH 7.4): 57.38
    ACD/KOC (pH 7.4): 524.21
    Polar Surface Area: 44 Å2
    Polarizability: 25.0±0.5 10-24cm3
    Surface Tension: 43.0±5.0 dyne/cm
    Molar Volume: 203.0±5.0 cm3

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