fluoro(fluoromethoxy)methane

• ChemBase ID: 93172
• Molecular Formular: C2H4F2O
• Molecular Mass: 82.0493664
• Monoisotopic Mass: 82.02302119
• SMILES: FCOCF
• Canonical SMILES: FCOCF
• InChI: InChI=1S/C2H4F2O/c3-1-5-2-4/h1-2H2
• InChIKey: SGAMQLNREKTWEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: fluoro(fluoromethoxy)methane
• IUPAC Traditional name: fluoro(fluoromethoxy)methane
• Synonyms: Bis(fluoromethyl)ether

Database IDs

• CAS Number: 462-51-1
• MDL Number: MFCD00274309
• PubChem SID: 162079857
• PubChem CID: 2736027

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.485209
• LogD (pH = 7.4): 0.485209
• Log P: 0.485209
• Molar Refractivity: 12.4543 cm^3
• Polarizability: 4.977884 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -70°C
• Boiling Point: 34°C
• Flash Point: -20°C
• Density: 1.208

Safety Information

• Storage Warning: Flammable

DETAILS

Apollo Scientific Ltd - PC0341

Useful synthetic intermediate; call for data sheet.