ChemSpider 2D Image | (3-fluoro-5-((4-oxopiperidin-1-yl)methyl)phenyl)boronic acid | C12H15BFNO3

(3-fluoro-5-((4-oxopiperidin-1-yl)methyl)phenyl)boronic acid

  • Molecular FormulaC12H15BFNO3
  • Average mass251.062 Da
  • Monoisotopic mass251.112900 Da
  • ChemSpider ID34980440

More details:

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

(3-fluoro-5-((4-oxopiperidin-1-yl)methyl)phenyl)boronic acid
{3-Fluor-5-[(4-oxo-1-piperidinyl)methyl]phenyl}borsäure [German] [ACD/IUPAC Name]
{3-Fluoro-5-[(4-oxo-1-piperidinyl)methyl]phenyl}boronic acid [ACD/IUPAC Name]
1704063-68-2 [RN]
Acide {3-fluoro-5-[(4-oxo-1-pipéridinyl)méthyl]phényl}boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[3-fluoro-5-[(4-oxo-1-piperidinyl)methyl]phenyl]- [ACD/Index Name]
{3-FLUORO-5-[(4-OXOPIPERIDIN-1-YL)METHYL]PHENYL}BORONIC ACID
3-FLUORO-5-[(4-OXOPIPERIDIN-1-YL)METHYL]PHENYLBORONIC ACID
MFCD28400160

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 443.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 73.9±3.0 kJ/mol
    Flash Point: 222.0±31.5 °C
    Index of Refraction: 1.562
    Molar Refractivity: 63.1±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.61
    ACD/LogD (pH 5.5): -0.29
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 5.59
    ACD/LogD (pH 7.4): 0.34
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 23.55
    Polar Surface Area: 61 Å2
    Polarizability: 25.0±0.5 10-24cm3
    Surface Tension: 50.7±5.0 dyne/cm
    Molar Volume: 194.7±5.0 cm3

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