CAS 55332-37-1

Trusted Global CDMO Partner Delivering End-to-End Pharma Manufacturing & Development Solutions.

Virtual Booth

Contact Supplier

Evonik Health Care is the innovation hub for leading life science companies

CHEMISTRY

Discover Molecule Insights

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 55332-37-1, (s)-2-(4-fluorophenyl) 3-methylbutyric acid, (s)-2-(4-fluorophenyl)-3-methylbutyric acid, 110311-45-0, (2s)-2-(4-fluorophenyl)-3-methylbutanoic acid, (r)-2-(4-fluorophenyl)-3-methylbutyric acid

Molecular Formula

C₁₁H₁₃FO₂

Molecular Weight

196.22 g/mol

InChI Key

YBQLHBYGMUXCEW-JTQLQIEISA-N

1 2D Structure

CAS 55332-37-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-2-(4-fluorophenyl)-3-methylbutanoic acid

2.1.2 InChI

InChI=1S/C11H13FO2/c1-7(2)10(11(13)14)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3,(H,13,14)/t10-/m0/s1

2.1.3 InChI Key

YBQLHBYGMUXCEW-JTQLQIEISA-N

2.1.4 Canonical SMILES

CC(C)C(C1=CC=C(C=C1)F)C(=O)O

2.1.5 Isomeric SMILES

CC(C)[C@@H](C1=CC=C(C=C1)F)C(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 55332-37-1

2. (s)-2-(4-fluorophenyl) 3-methylbutyric Acid

3. (s)-2-(4-fluorophenyl)-3-methylbutyric Acid

4. 110311-45-0

5. (2s)-2-(4-fluorophenyl)-3-methylbutanoic Acid

6. (r)-2-(4-fluorophenyl)-3-methylbutyric Acid

7. Schembl2379483

8. Dtxsid601335367

9. Amy14657

10. Cs-d1302

11. Zinc2569293

12. Mfcd00792491

13. Akos005137912

14. Akos006275598

15. Bs-49527

16. (s)-2-(4-fluorophenyl)-3-methylbutanoicacid

17. (s)-2-(p-fluorophenyl)-3-methylbutyric Acid

18. (s)-2-(p-fluorophenyl)-3-methylbutanoic Acid

19. (s)-2-(4-fluoro-phenyl) 3-methylbutyric Acid

20. (2s)-2-(4-fluorophenyl)-3-methyl-butanoic Acid

21. A830595

22. (s)-2-(4-fluorophenyl)3-methylbutyricacid

23. Benzeneacetic Acid, 4-fluoro-.alpha.-(1-methylethyl)-, (.alpha.s)-

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₃FO₂
Molecular Weight	196.22 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	196.08995782 g/mol
Monoisotopic Mass	196.08995782 g/mol
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	196
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Privacy policy
Terms and conditions
Disclaimers
Product listings are provided for informational purposes only. We do not supply or sell any products. Any products that may be covered by patent(s) are supplied solely for uses permitted under Section 107A of the Indian Patents Act and not for commercial sale.

CAS 55332-37-1 manufacturers and suppliers on PharmaCompass

CHEMISTRY

Discover Molecule Insights

What are you looking for?