ChemSpider 2D Image | [4-(Ethyl{[(2-methyl-2-propanyl)oxy]carbonyl}amino)-2-fluorophenyl]boronic acid | C13H19BFNO4

[4-(Ethyl{[(2-methyl-2-propanyl)oxy]carbonyl}amino)-2-fluorophenyl]boronic acid

  • Molecular FormulaC13H19BFNO4
  • Average mass283.104 Da
  • Monoisotopic mass283.139130 Da
  • ChemSpider ID30783610

More details:

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

[4-(Ethyl{[(2-methyl-2-propanyl)oxy]carbonyl}amino)-2-fluorophenyl]boronic acid [ACD/IUPAC Name]
[4-(Ethyl{[(2-methyl-2-propanyl)oxy]carbonyl}amino)-2-fluorphenyl]borsäure [German] [ACD/IUPAC Name]
Acide [4-(éthyl{[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-2-fluorophényl]boronique [French] [ACD/IUPAC Name]
Carbamic acid, N-(4-borono-3-fluorophenyl)-N-ethyl-, 1,1-dimethylethyl ester [ACD/Index Name]
(4-((tert-Butoxycarbonyl)(ethyl)amino)-2-fluorophenyl)boronic acid
(4-{[(TERT-BUTOXY)CARBONYL](ETHYL)AMINO}-2-FLUOROPHENYL)BORONIC ACID
2377610-16-5 [RN]
4-(N-BOC-N-Ethylamino)-2-fluorophenylboronic acid
4-[(TERT-BUTOXYCARBONYL)(ETHYL)AMINO]-2-FLUOROPHENYLBORONIC ACID
MFCD26383410

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 419.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 70.9±3.0 kJ/mol
    Flash Point: 207.2±31.5 °C
    Index of Refraction: 1.517
    Molar Refractivity: 71.6±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.40
    ACD/LogD (pH 5.5): 2.90
    ACD/BCF (pH 5.5): 93.44
    ACD/KOC (pH 5.5): 895.22
    ACD/LogD (pH 7.4): 2.85
    ACD/BCF (pH 7.4): 83.47
    ACD/KOC (pH 7.4): 799.73
    Polar Surface Area: 70 Å2
    Polarizability: 28.4±0.5 10-24cm3
    Surface Tension: 43.2±5.0 dyne/cm
    Molar Volume: 236.4±5.0 cm3

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