Catalog | OFC38565536 |
CAS | 38565-53-6 |
Category | Fluorinated Cyclic Ethers |
Synonyms | 3-Perfluorooctyl-1,2-epoxypropane |
Purity | >99% |
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IUPAC Name | 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)oxirane |
InChI | InChI=1S/C11H5F17O/c12-4(13,1-3-2-29-3)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h3H,1-2H2 |
InChI Key | HMXSIEIEXLGIET-UHFFFAOYSA-N |
Isomeric SMILES | C1C(O1)CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
EC Number | 254-006-5 |
Molecular Formula | C11H5F17O |
Molecular Weight | 476.13 |
Melting Point | 12 °C |
Boiling Point | 176 °C (760 mmHg) |
Flash Point | > 102 °C |
Density | 1.72 g/mL @ 20 °C |
Refractive Index | 1.31 @ 16 °C |
XLogP3-AA | 6.1 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 18 |
Rotatable Bond Count | 8 |
Exact Mass | 476.0068935 g/mol |
Monoisotopic Mass | 476.0068935 g/mol |
Topological Polar Surface Area | 12.5Ų |
Heavy Atom Count | 29 |
Formal Charge | 0 |
Complexity | 617 |
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