Found 68 results

Search term: MF = 'C_{13}H_{21}BFNO_{2}'
ChemSpider 2D Image | (3-Fluoro-5-{[methyl(2-pentanyl)amino]methyl}phenyl)boronic acid | C13H21BFNO2

(3-Fluoro-5-{[methyl(2-pentanyl)amino]methyl}phenyl)boronic acid

  • Molecular FormulaC13H21BFNO2
  • Average mass253.121 Da
  • Monoisotopic mass253.164932 Da
  • ChemSpider ID36057512

More details:

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

(3-Fluor-5-{[methyl(2-pentanyl)amino]methyl}phenyl)borsäure [German] [ACD/IUPAC Name]
(3-Fluoro-5-{[methyl(2-pentanyl)amino]methyl}phenyl)boronic acid [ACD/IUPAC Name]
Acide (3-fluoro-5-{[méthyl(2-pentanyl)amino]méthyl}phényl)boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[3-fluoro-5-[[methyl(1-methylbutyl)amino]methyl]phenyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 360.5±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 64.0±3.0 kJ/mol
Flash Point: 171.8±30.7 °C
Index of Refraction: 1.509
Molar Refractivity: 69.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.82
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 3.31
ACD/KOC (pH 7.4): 33.49
Polar Surface Area: 44 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 38.6±5.0 dyne/cm
Molar Volume: 233.4±5.0 cm3

Click to predict properties on the Chemicalize site


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