ChemSpider 2D Image | {2-[(Diisopropylamino)methyl]-6-fluorophenyl}boronic acid | C13H21BFNO2

{2-[(Diisopropylamino)methyl]-6-fluorophenyl}boronic acid

  • Molecular FormulaC13H21BFNO2
  • Average mass253.121 Da
  • Monoisotopic mass253.164932 Da
  • ChemSpider ID21119848

More details:

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

{2-[(Diisopropylamino)methyl]-6-fluorophenyl}boronic acid [ACD/IUPAC Name]
{2-[(Diisopropylamino)methyl]-6-fluorphenyl}borsäure [German] [ACD/IUPAC Name]
Acide {2-[(diisopropylamino)méthyl]-6-fluorophényl}boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[2-[[bis(1-methylethyl)amino]methyl]-6-fluorophenyl]- [ACD/Index Name]
1080651-98-4 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 352.8±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.1±3.0 kJ/mol
Flash Point: 167.2±30.7 °C
Index of Refraction: 1.507
Molar Refractivity: 69.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.16
ACD/LogD (pH 5.5): -0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.25
Polar Surface Area: 44 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 37.7±5.0 dyne/cm
Molar Volume: 234.1±5.0 cm3

Click to predict properties on the Chemicalize site


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