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ACTIVE PHARMA INGREDIENTS

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1 USDMF

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Chemistry

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Also known as: Perfluorodecyl bromide, 307-43-7, 1-bromohenicosafluorodecane, Perflubrodec [inn], Af0144, 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane

Molecular Formula

C₁₀BrF₂₁

Molecular Weight

598.98 g/mol

InChI Key

JCAULFRGWRHHIG-UHFFFAOYSA-N

FDA UNII

4818HEA280

1 2D Structure

Perflubrodec

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane

2.1.2 InChI

InChI=1S/C10BrF21/c11-9(28,29)7(24,25)5(20,21)3(16,17)1(12,13)2(14,15)4(18,19)6(22,23)8(26,27)10(30,31)32

2.1.3 InChI Key

JCAULFRGWRHHIG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C(C(C(C(C(C(F)(F)Br)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F

2.2 Other Identifiers

2.2.1 UNII

4818HEA280

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Perfluorodecyl Bromide

2.3.2 Depositor-Supplied Synonyms

1. Perfluorodecyl Bromide

2. 307-43-7

3. 1-bromohenicosafluorodecane

4. Perflubrodec [inn]

5. Af0144

6. 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane

7. 4818hea280

8. Af-0144

9. Decane, 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heneicosafluoro-

10. Component Of Oxygent

11. Component Of Af0144

12. Perflubrodec [usan:inn]

13. Unii-4818hea280

14. Einecs 206-201-1

15. Perflubrodec (usan/inn)

16. Perflubrodec [usan]

17. Schembl364093

18. Chembl2105425

19. Dtxsid70184725

20. 1-bromoheneicosafluorodecane

21. Mfcd16620447

22. Zinc56898836

23. D08965

24. 307p437

25. Q27259089

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₀BrF₂₁
Molecular Weight	598.98 g/mol
XLogP3	8.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	21
Rotatable Bond Count	8
Exact Mass	597.88480 g/mol
Monoisotopic Mass	597.88480 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	698
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1