Tetrabutylammonium Fluoride Trihydrate

Synopsis, Chemistry

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Also known as: 87749-50-6, Tetra-n-butylammonium fluoride trihydrate, Tetrabutylazanium;fluoride;trihydrate, 1-butanaminium, n,n,n-tributyl-, fluoride, trihydrate, Tetrabutylazanium fluoride trihydrate, Tetra-n-butylammonium fluoride hydrate

Molecular Formula

C₁₆H₄₂FNO₃

Molecular Weight

315.51 g/mol

InChI Key

VEPTXBCIDSFGBF-UHFFFAOYSA-M

1 2D Structure

Tetrabutylammonium Fluoride Trihydrate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tetrabutylazanium;fluoride;trihydrate

2.1.2 InChI

InChI=1S/C16H36N.FH.3H2O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;;/h5-16H2,1-4H3;1H;3*1H2/q+1;;;;/p-1

2.1.3 InChI Key

VEPTXBCIDSFGBF-UHFFFAOYSA-M

2.1.4 Canonical SMILES

CCCC[N+](CCCC)(CCCC)CCCC.O.O.O.[F-]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 87749-50-6

2. Tetra-n-butylammonium Fluoride Trihydrate

3. Tetrabutylazanium;fluoride;trihydrate

4. 1-butanaminium, N,n,n-tributyl-, Fluoride, Trihydrate

5. Tetrabutylazanium Fluoride Trihydrate

6. Tetra-n-butylammonium Fluoride Hydrate

7. Bu4nf Trihydrate

8. Tetrabutylammoniumfluoridetrihydrate

9. Mfcd00149981

10. Nbu4nf.3h2o

11. Tetra(but-1-yl)ammonium Fluoride Trihydrate

12. N-bu4nf.3h2o

13. Bu4nf.3h2o

14. Dtxsid60471191

15. Tetrabutylammoniumfluorid Trihydrate

16. Bcp24498

17. Tetrabutylammonium Fluoridetrihydrate

18. Tetrabutylammoniumfluoride Trihydrate

19. Tetrabutylammonium Fluoride-trihydrate

20. Tetrabutyl Ammonium Fluride Trihydrate

21. Akos015855444

22. Tetra Butyl Ammonium Fluoride Trihydrat

23. Tetrabutyl-ammonium Fluoride Trihydrate

24. Cs-w007445

25. Tetra Butyl Ammonium Fluoride Trihydrate

26. Tetra-n-butylammonium Fluoride-trihydrate

27. Cs-17322

28. Tetra-n-butyl Ammonium Fluoride Trihydrate

29. Db-050396

30. Ft-0642069

31. D70425

32. A826075

33. A842360

34. A862428

35. Q-201802

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₄₂FNO₃
Molecular Weight	315.51 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	12
Exact Mass	315.31487236 g/mol
Monoisotopic Mass	315.31487236 g/mol
Topological Polar Surface Area	3 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	116
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	5