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2D Structure
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

2D Structure

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 Weight 315.51 g/mol
Molecular Formula C16H42FNO3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Exact Mass315.31487236 g/mol
Monoisotopic Mass315.31487236 g/mol
Topological Polar Surface Area3 Ų
Heavy Atom Count21
Formal Charge0
Complexity116
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count5