ChemSpider 2D Image | 1-Fluoro-2-{[(3-fluorobenzyl)sulfanyl]methyl}benzene | C14H12F2S

1-Fluoro-2-{[(3-fluorobenzyl)sulfanyl]methyl}benzene

  • Molecular FormulaC14H12F2S
  • Average mass250.307 Da
  • Monoisotopic mass250.062775 Da
  • ChemSpider ID48067683

More details:

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

1-Fluor-2-{[(3-fluorbenzyl)sulfanyl]methyl}benzol [German] [ACD/IUPAC Name]
1-Fluoro-2-{[(3-fluorobenzyl)sulfanyl]methyl}benzene [ACD/IUPAC Name]
1-Fluoro-2-{[(3-fluorobenzyl)sulfanyl]méthyl}benzène [French] [ACD/IUPAC Name]
Benzene, 1-fluoro-2-[[[(3-fluorophenyl)methyl]thio]methyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 322.4±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 54.2±3.0 kJ/mol
Flash Point: 148.8±23.7 °C
Index of Refraction: 1.579
Molar Refractivity: 68.3±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.29
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 1123.82
ACD/KOC (pH 5.5): 5312.36
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 1123.82
ACD/KOC (pH 7.4): 5312.36
Polar Surface Area: 25 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 205.3±3.0 cm3

Click to predict properties on the Chemicalize site


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