1,1,2-trifluoro-2-(trifluoromethoxy)ethane

• ChemBase ID: 8218
• Molecular Formular: C3H2F6O
• Molecular Mass: 168.0377992
• Monoisotopic Mass: 168.000984
• SMILES: C(C(OC(F)(F)F)F)(F)F
• Canonical SMILES: FC(C(OC(F)(F)F)F)F
• InChI: InChI=1S/C3H2F6O/c4-1(5)2(6)10-3(7,8)9/h1-2H
• InChIKey: NYIXJXBRWHOWFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2-trifluoro-2-(trifluoromethoxy)ethane
• IUPAC Traditional name: 1,1,2-trifluoro-2-(trifluoromethoxy)ethane
• Synonyms: 1,2,2-Trifluoroethyl trifluoromethyl ether 95%; 1,2,2-Trifluoroethyl trifluoromethyl ether

Database IDs

• CAS Number: 84011-06-3
• MDL Number: MFCD00236722
• PubChem SID: 160971525
• PubChem CID: 2777152

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.575775
• LogD (pH = 7.4): 2.575775
• Log P: 2.575775
• Molar Refractivity: 13.829 cm^3
• Polarizability: 7.143147 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: none°C
• Density: 1.5; 1.500

Safety Information

• Storage Warning: GAS; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%