ChemSpider 2D Image | 1,1,1-Trifluoro-3-[(2-phenylethyl)sulfanyl]acetone | C11H11F3OS

1,1,1-Trifluoro-3-[(2-phenylethyl)sulfanyl]acetone

  • Molecular FormulaC11H11F3OS
  • Average mass248.265 Da
  • Monoisotopic mass248.048264 Da
  • ChemSpider ID24690490

More details:

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

1,1,1-Trifluor-3-[(2-phenylethyl)sulfanyl]aceton [German] [ACD/IUPAC Name]
1,1,1-Trifluoro-3-[(2-phenylethyl)sulfanyl]acetone [ACD/IUPAC Name]
1,1,1-Trifluoro-3-[(2-phényléthyl)sulfanyl]acétone [French] [ACD/IUPAC Name]
1,1,1-TRIFLUORO-3-[(2-PHENYLETHYL)SULFANYL]PROPAN-2-ONE
2-Propanone, 1,1,1-trifluoro-3-[(2-phenylethyl)thio]- [ACD/Index Name]
382616-71-9 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL460809/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 286.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.6±3.0 kJ/mol
Flash Point: 127.3±27.3 °C
Index of Refraction: 1.496
Molar Refractivity: 58.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 179.99
ACD/KOC (pH 5.5): 1431.92
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 179.99
ACD/KOC (pH 7.4): 1431.92
Polar Surface Area: 42 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 199.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement