ChemSpider 2D Image | {4-[(1,1-Dimethyl-3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]-2-fluorophenyl}boronic acid | C18H19BFNO3

{4-[(1,1-Dimethyl-3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]-2-fluorophenyl}boronic acid

  • Molecular FormulaC18H19BFNO3
  • Average mass327.158 Da
  • Monoisotopic mass327.144196 Da
  • ChemSpider ID72917966

More details:

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

{4-[(1,1-Dimethyl-3,4-dihydro-2(1H)-isochinolinyl)carbonyl]-2-fluorphenyl}borsäure [German] [ACD/IUPAC Name]
{4-[(1,1-Dimethyl-3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]-2-fluorophenyl}boronic acid [ACD/IUPAC Name]
Acide {4-[(1,1-diméthyl-3,4-dihydro-2(1H)-isoquinoléinyl)carbonyl]-2-fluorophényl}boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[4-[(3,4-dihydro-1,1-dimethyl-2(1H)-isoquinolinyl)carbonyl]-2-fluorophenyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 528.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 273.1±32.9 °C
Index of Refraction: 1.608
Molar Refractivity: 87.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 143.63
ACD/KOC (pH 5.5): 1216.63
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 104.20
ACD/KOC (pH 7.4): 882.63
Polar Surface Area: 61 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 53.9±5.0 dyne/cm
Molar Volume: 253.9±5.0 cm3

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