1,1,1,2-tetrafluoro-2-methoxyethane

• ChemBase ID: 93418
• Molecular Formular: C3H4F4O
• Molecular Mass: 132.0568728
• Monoisotopic Mass: 132.01982763
• SMILES: O(C(C(F)(F)F)F)C
• Canonical SMILES: COC(C(F)(F)F)F
• InChI: InChI=1S/C3H4F4O/c1-8-2(4)3(5,6)7/h2H,1H3
• InChIKey: BEPCUGVFWAYLBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2-tetrafluoro-2-methoxyethane
• IUPAC Traditional name: 1,1,1,2-tetrafluoro-2-methoxyethane
• Synonyms: 1,2,2,2-Tetrafluoroethyl methyl ether 99%

Database IDs

• CAS Number: 50285-05-7
• MDL Number: MFCD07366529
• PubChem SID: 162080103
• PubChem CID: 2783375

CALCULATED PROPERTIES

• Acid pKa: 18.935507
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.4757526
• LogD (pH = 7.4): 1.4757526
• Log P: 1.4757526
• Molar Refractivity: 18.1116 cm^3
• Polarizability: 6.8464084 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 38-39°C/768mm

Safety Information

• Storage Warning: Irritant