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Technical details about Perfluorodichlorooctane, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
Also known as: 647-25-6, 1,8-dichlorohexadecafluorooctane, 1,8-dichloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane, Pfdco, Tk0peb8q3s, 1,8-dichloro-perfluorooctane
Molecular Formula
C8Cl2F16
Molecular Weight
470.96  g/mol
InChI Key
GFQXWORJCNTDPU-UHFFFAOYSA-N
FDA UNII
TK0PEB8Q3S

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1,8-dichloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane
2.1.2 InChI
InChI=1S/C8Cl2F16/c9-7(23,24)5(19,20)3(15,16)1(11,12)2(13,14)4(17,18)6(21,22)8(10,25)26
2.1.3 InChI Key
GFQXWORJCNTDPU-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C(C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F
2.2 Other Identifiers
2.2.1 UNII
TK0PEB8Q3S
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 647-25-6

2. 1,8-dichlorohexadecafluorooctane

3. 1,8-dichloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane

4. Pfdco

5. Tk0peb8q3s

6. 1,8-dichloro-perfluorooctane

7. Octane, 1,8-dichloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-

8. Octane, 1,8-dichlorohexadecafluoro-

9. Unii-tk0peb8q3s

10. 1,1-isopropylidenezirconocenedichloride

11. Perfluoro-1,8-dichlorooctane

12. Schembl632568

13. Perfluoro-1,8-dichloro-octane

14. Chebi:38872

15. Dtxsid60378853

16. Mfcd00155747

17. Zinc64624397

18. 1,8-dichloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-octane

19. Akos007930277

20. Bs-43786

21. Db-054723

22. Cs-0319647

23. D2804

24. Ft-0607045

25. D90116

26. A834868

27. Q27118005

2.4 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 470.96 g/mol
Molecular Formula C8Cl2F16
XLogP37
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count16
Rotatable Bond Count7
Exact Mass469.9121560 g/mol
Monoisotopic Mass469.9121560 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count26
Formal Charge0
Complexity488
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1