ChemSpider 2D Image | 3,3-Bis(trifluoromethyl)-2-oxetanone | C5H2F6O2

3,3-Bis(trifluoromethyl)-2-oxetanone

  • Molecular FormulaC5H2F6O2
  • Average mass208.059 Da
  • Monoisotopic mass207.995895 Da
  • ChemSpider ID23955822

More details:

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

1718-33-8 [RN]
2-Oxetanone, 3,3-bis(trifluoromethyl)- [ACD/Index Name]
3,3-Bis(trifluormethyl)-2-oxetanon [German] [ACD/IUPAC Name]
3,3-Bis(trifluoromethyl)-2-oxetanone [ACD/IUPAC Name]
3,3-Bis(trifluorométhyl)-2-oxêtanone [French] [ACD/IUPAC Name]
3,3-Bis(trifluoromethyl)oxetan-2-one
4141-86-0 [RN]
Ethyl 2-(6-((tert-butoxycarbonyl)amino)pyridin-2-yl)acetate
MFCD01709493 [MDL number]
MFCD08457547

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

Density: 1.7±0.1 g/cm3
Boiling Point: 113.5±35.0 °C at 760 mmHg
Vapour Pressure: 20.7±0.2 mmHg at 25°C
Enthalpy of Vaporization: 35.2±3.0 kJ/mol
Flash Point: 20.1±26.6 °C
Index of Refraction: 1.329
Molar Refractivity: 25.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.39
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 7.07
ACD/KOC (pH 5.5): 141.06
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 7.07
ACD/KOC (pH 7.4): 141.06
Polar Surface Area: 26 Å2
Polarizability: 9.9±0.5 10-24cm3
Surface Tension: 23.1±3.0 dyne/cm
Molar Volume: 123.1±3.0 cm3

Click to predict properties on the Chemicalize site


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