Organofluorine / Alfa Chemistry
3-(Perfluorooctyl)propyl epoxide

3-(Perfluorooctyl)propyl epoxide

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3-(Perfluorooctyl)propyl epoxide
Catalog OFC38565536
CAS 38565-53-6
Category Fluorinated Cyclic Ethers
Synonyms 3-Perfluorooctyl-1,2-epoxypropane
Purity >99%
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Other Identifiers Chemical Data Computational Chemistry
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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