2,2,3,3,4,4,5-heptafluoro-5-(nonafluorobutyl)oxolane

• ChemBase ID: 98642
• Molecular Formular: C8F16O
• Molecular Mass: 416.0594512
• Monoisotopic Mass: 415.96936614
• SMILES: O1C(F)(C(F)(C(C1(F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)F)F
• Canonical SMILES: FC(C(C(C1(F)OC(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F
• InChI: InChI=1S/C8F16O/c9-1(10,4(15,16)7(20,21)22)2(11,12)6(19)3(13,14)5(17,18)8(23,24)25-6
• InChIKey: FYJQJMIEZVMYSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3,4,4,5-heptafluoro-5-(nonafluorobutyl)oxolane
• IUPAC Traditional name: 2,2,3,3,4,4,5-heptafluoro-5-(nonafluorobutyl)oxolane
• Synonyms: Hexadecafluoro-2-butyltetrahydrofuran; Perfluoro-2-butyltetrahydrofuran; Perfluoro(2-n-butyltetrahydrofuran), tech., cont. perfluoro(2-n-propyltetrahydropyran); 2,3,3,4,4,5,5-Heptafluoro-2-(nonafluorobut-1-yl)tetrahydrofuran; Perfluoro[2-(but-1-yl)tetrahydrofuran] 97%; Fluorinert FC-75; Perfluoro-compound FC-75; Perfluoro-2-n-butyl THF; Perfluoro(butyltetrahydrofuran); FC-75; 十六氟-2-丁基四氢呋喃; 全氟丁基四氢呋喃; 全氟(2-正丁基四氢呋喃), tech., 含全氟(2-正丁基四氢吡喃)

Database IDs

• CAS Number: 335-36-4
• EC Number: 206-389-5
• MDL Number: MFCD00014513
• Beilstein Number: 341263
• PubChem SID: 162085028; 24887342
• PubChem CID: 78976
• Wikipedia Title: FC-75

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.889887
• LogD (pH = 7.4): 5.889887
• Log P: 5.889887
• Molar Refractivity: 40.1553 cm^3
• Polarizability: 16.173532 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Insoluble in water
• Melting Point: -88°C
• Boiling Point: 102°C; 99-107°C; 99-107°C
• Density: 1.77; 1.770
• Refractive Index: <1.3005; n20/D 1.296

Safety Information

• Storage Warning: Irritant
• German water hazard class: 3
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (GC)
• Grade: analytical standard, for mass spectrometry
• Empirical Formula (Hill Notation): C8F16O

DETAILS

Apollo Scientific Ltd - PC5910

97% as C8F16O; contains:Perfluoro(2-propyl-1-oxacyclohexane)

REFERENCES

• Reaction medium with substantial capacity to solubilize molecular oxygen as in the high yield epoxidation of alkenes in the presence of trimethylacetaldehyde: Synth Commun., 27, 447 (1997).