ChemSpider 2D Image | [(2,4-Difluorophenyl)sulfanyl](fluoro)acetic acid | C8H5F3O2S

[(2,4-Difluorophenyl)sulfanyl](fluoro)acetic acid

  • Molecular FormulaC8H5F3O2S
  • Average mass222.184 Da
  • Monoisotopic mass221.996231 Da
  • ChemSpider ID52265409

More details:

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

[(2,4-Difluorophenyl)sulfanyl](fluoro)acetic acid [ACD/IUPAC Name]
[(2,4-Difluorphenyl)sulfanyl](fluor)essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[(2,4-difluorophenyl)thio]-2-fluoro- [ACD/Index Name]
Acide [(2,4-difluorophényl)sulfanyl](fluoro)acétique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 272.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.0±3.0 kJ/mol
Flash Point: 118.7±27.3 °C
Index of Refraction: 1.538
Molar Refractivity: 46.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.47
ACD/LogD (pH 5.5): -1.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 18.2±0.5 10-24cm3
Surface Tension: 44.6±5.0 dyne/cm
Molar Volume: 147.1±5.0 cm3

Click to predict properties on the Chemicalize site


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