ChemSpider 2D Image | Difluoro[(4-fluorophenyl)sulfanyl]acetic acid | C8H5F3O2S

Difluoro[(4-fluorophenyl)sulfanyl]acetic acid

  • Molecular FormulaC8H5F3O2S
  • Average mass222.184 Da
  • Monoisotopic mass221.996231 Da
  • ChemSpider ID37400020

More details:

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

Acetic acid, 2,2-difluoro-2-[(4-fluorophenyl)thio]- [ACD/Index Name]
Acide difluoro[(4-fluorophényl)sulfanyl]acétique [French] [ACD/IUPAC Name]
Difluor[(4-fluorphenyl)sulfanyl]essigsäure [German] [ACD/IUPAC Name]
Difluoro[(4-fluorophenyl)sulfanyl]acetic acid [ACD/IUPAC Name]
2,2-difluoro-2-[(4-fluorophenyl)sulfanyl]acetic acid
2,2-difluoro-2-[(4-fluorophenyl)sulfanyl]aceticacid
911360-86-6 [RN]
MFCD24070432

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

Density: 1.5±0.1 g/cm3
Boiling Point: 255.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 52.1±3.0 kJ/mol
Flash Point: 108.2±27.3 °C
Index of Refraction: 1.537
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: 3.28
ACD/LogD (pH 5.5): -1.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 18.3±0.5 10-24cm3
Surface Tension: 44.4±5.0 dyne/cm
Molar Volume: 147.3±5.0 cm3

Click to predict properties on the Chemicalize site


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