Close
4

Athena Athena

X

CAS 61718-80-7 manufacturers and suppliers on PharmaCompass

PharmaCompass
CAS 61718-80-7
Also known as: 61718-80-7, 5-methoxy-1-[4-(trifluoromethyl)phenyl]-1-pentanone, 5-methoxy-1-(4-(trifluoromethyl)phenyl)pentan-1-one, 5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-1-one, (4-methoxybutyl)(4-trifluoromethylphenyl)methanone, Fluvoxamine (ketone)
Molecular Formula
C13H15F3O2
Molecular Weight
260.25  g/mol
InChI Key
VYKSRLDHXQURKA-UHFFFAOYSA-N
FDA UNII
8D8A03845N

1 2D Structure

CAS 61718-80-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-1-one
2.1.2 InChI
InChI=1S/C13H15F3O2/c1-18-9-3-2-4-12(17)10-5-7-11(8-6-10)13(14,15)16/h5-8H,2-4,9H2,1H3
2.1.3 InChI Key
VYKSRLDHXQURKA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COCCCCC(=O)C1=CC=C(C=C1)C(F)(F)F
2.2 Other Identifiers
2.2.1 UNII
8D8A03845N
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 61718-80-7

2. 5-methoxy-1-[4-(trifluoromethyl)phenyl]-1-pentanone

3. 5-methoxy-1-(4-(trifluoromethyl)phenyl)pentan-1-one

4. 5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-1-one

5. (4-methoxybutyl)(4-trifluoromethylphenyl)methanone

6. Fluvoxamine (ketone)

7. 5-methoxy-4'-(trifluoromethyl)valerophenone

8. 5-methoxy-4-trifluoromethyl Valerophenone

9. 8d8a03845n

10. 1-pentanone, 5-methoxy-1-[4-(trifluoromethyl)phenyl]-

11. 5-methoxy-1-(4-(trifluoromethyl)phenyl)-1-pentanone

12. 5-methoxy-1-[4-(trifluoromethyl)-phenyl]pentan-1-one

13. 1-pentanone, 5-methoxy-1-(4-(trifluoromethyl)phenyl)-

14. Unii-8d8a03845n

15. Fluvoxamine Impurity D

16. Ec 425-000-1

17. Schembl2671567

18. Dtxsid60210724

19. Bcp10170

20. Mfcd06658173

21. Zinc16158744

22. Akos005064032

23. Ac-1407

24. Ps-7367

25. 5-methoxy-4'-trifluoromethylvalerophenone

26. Db-001107

27. Cs-0103012

28. Ft-0640783

29. C75897

30. Omega-methoxy-4'-(trifluoromethyl)valerophenone

31. 718m807

32. Fluvoxamine Maleate Impurity D [ep Impurity]

33. Q-101520

34. 5-methoxy-1-[4-(trifluoromethyl)-phenyl]-1-pentanone

35. Q27270215

36. 5-methoxy-4'-(trifluoromethyl)valerophenone Ketone

37. 5-methoxy-1-(4-(trifluoromethyl)phenyl)pentan-1-one;fluvoxketone

38. Fluvoxamine Maleate Impurity, 5-methoxy-4'-(trifluoromethyl)valerophenone Ketone- [usp Impurity]

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 260.25 g/mol
Molecular Formula C13H15F3O2
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass260.10241420 g/mol
Monoisotopic Mass260.10241420 g/mol
Topological Polar Surface Area26.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity256
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty
Post Enquiry
POST ENQUIRY