octafluorooxolane

• ChemBase ID: 98368
• Molecular Formular: C4F8O
• Molecular Mass: 216.0294256
• Monoisotopic Mass: 215.98214038
• SMILES: O1C(F)(C(F)(F)C(C1(F)F)(F)F)F
• Canonical SMILES: FC1(F)OC(C(C1(F)F)(F)F)(F)F
• InChI: InChI=1S/C4F8O/c5-1(6)2(7,8)4(11,12)13-3(1,9)10
• InChIKey: UEOZRAZSBQVQKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octafluorooxolane
• IUPAC Traditional name: octafluorooxolane
• Synonyms: Octafluorotetrahydrofuran; Perfluoro(tetrahydrofuran) 99%

Database IDs

• CAS Number: 773-14-8
• MDL Number: MFCD00465561
• PubChem SID: 162084806
• PubChem CID: 164733

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.0505874
• LogD (pH = 7.4): 3.0505874
• Log P: 3.0505874
• Molar Refractivity: 21.5097 cm^3
• Polarizability: 8.499573 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -85°C
• Boiling Point: -0.8°C
• Density: 1.52

Safety Information

• Storage Warning: Harmful

DETAILS

Apollo Scientific Ltd - PC5424

Cylinder - 1/4" NPTM connection