ChemSpider 2D Image | (4-Fluoro-3-{[(2S)-1-hydroxy-3,3-dimethyl-2-butanyl]carbamoyl}phenyl)boronic acid | C13H19BFNO4

(4-Fluoro-3-{[(2S)-1-hydroxy-3,3-dimethyl-2-butanyl]carbamoyl}phenyl)boronic acid

  • Molecular FormulaC13H19BFNO4
  • Average mass283.104 Da
  • Monoisotopic mass283.139130 Da
  • ChemSpider ID72976663

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4-Fluor-3-{[(2S)-1-hydroxy-3,3-dimethyl-2-butanyl]carbamoyl}phenyl)borsäure [German] [ACD/IUPAC Name]
(4-Fluoro-3-{[(2S)-1-hydroxy-3,3-dimethyl-2-butanyl]carbamoyl}phenyl)boronic acid [ACD/IUPAC Name]
Acide (4-fluoro-3-{[(2S)-1-hydroxy-3,3-diméthyl-2-butanyl]carbamoyl}phényl)boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[4-fluoro-3-[[[(1S)-1-(hydroxymethyl)-2,2-dimethylpropyl]amino]carbonyl]phenyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.532
Molar Refractivity: 71.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.95
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 4.58
ACD/KOC (pH 5.5): 103.31
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 3.54
ACD/KOC (pH 7.4): 79.83
Polar Surface Area: 90 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 47.5±5.0 dyne/cm
Molar Volume: 229.4±5.0 cm3

Click to predict properties on the Chemicalize site


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