ChemSpider 2D Image | 2-fluoro QMPSB | C22H20F2N2O4S

2-fluoro QMPSB

  • Molecular FormulaC22H20F2N2O4S
  • Average mass446.467 Da
  • Monoisotopic mass446.111176 Da
  • ChemSpider ID76714524

More details:






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

2-fluoro QMPSB
3-[(4,4-Difluoro-1-pipéridinyl)sulfonyl]-4-méthylbenzoate de 8-quinoléinyle [French] [ACD/IUPAC Name]
8-Chinolinyl-3-[(4,4-difluor-1-piperidinyl)sulfonyl]-4-methylbenzoat [German] [ACD/IUPAC Name]
8-Quinolinyl 3-[(4,4-difluoro-1-piperidinyl)sulfonyl]-4-methylbenzoate [ACD/IUPAC Name]
Benzoic acid, 3-[(4,4-difluoro-1-piperidinyl)sulfonyl]-4-methyl-, 8-quinolinyl ester [ACD/Index Name]
quinolin-8-yl 3-((4,4-difluoropiperidin-1-yl)sulfonyl)-4-methylbenzoate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 633.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 336.9±34.3 °C
Index of Refraction: 1.642
Molar Refractivity: 112.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 451.48
ACD/KOC (pH 5.5): 2765.34
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 451.64
ACD/KOC (pH 7.4): 2766.31
Polar Surface Area: 85 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 62.4±5.0 dyne/cm
Molar Volume: 310.0±5.0 cm3

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