ChemSpider 2D Image | LJH685 | C22H21F2N3O

LJH685

  • Molecular FormulaC22H21F2N3O
  • Average mass381.418 Da
  • Monoisotopic mass381.165283 Da
  • ChemSpider ID35034882

More details:

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

1627710-50-2 [RN]
2,6-Difluor-4-{4-[4-(4-methyl-1-piperazinyl)phenyl]-3-pyridinyl}phenol [German] [ACD/IUPAC Name]
2,6-Difluoro-4-{4-[4-(4-methyl-1-piperazinyl)phenyl]-3-pyridinyl}phenol [ACD/IUPAC Name]
2,6-Difluoro-4-{4-[4-(4-méthyl-1-pipérazinyl)phényl]-3-pyridinyl}phénol [French] [ACD/IUPAC Name]
2,6-Difluoro-4-{4-[4-(4-Methylpiperazin-1-Yl)phenyl]pyridin-3-Yl}phenol
27CZQ807C1
Ljh-685
LJH685
Phenol, 2,6-difluoro-4-[4-[4-(4-methyl-1-piperazinyl)phenyl]-3-pyridinyl]- [ACD/Index Name]
2,?6-?difluoro-?4-?[4-?[4-?(4-?methyl-?1-?piperazinyl)?phenyl]?-?3-?pyridinyl]?-Phenol
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 481.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.4±3.0 kJ/mol
Flash Point: 244.7±28.7 °C
Index of Refraction: 1.601
Molar Refractivity: 103.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 2.60
ACD/KOC (pH 5.5): 18.94
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 5.10
ACD/KOC (pH 7.4): 37.08
Polar Surface Area: 40 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 303.4±3.0 cm3

Click to predict properties on the Chemicalize site


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