5,5,5-Trifluoro-3-oxo-pentanoic Acid Ethyl Ester - CAS 127146-29-6
Catalog: |
BB057191 |
Product Name: |
5,5,5-Trifluoro-3-oxo-pentanoic Acid Ethyl Ester |
CAS: |
127146-29-6 |
Synonyms: |
ethyl 5,5,5-trifluoro-3-oxopentanoate; 5,5,5-TRIFLUORO-3-OXO-PENTANOIC ACID ETHYL ESTER; Pentanoic acid, 5,5,5-trifluoro-3-oxo-, ethyl ester; ethyl trifluoromethylacetoacetate; 5,?5,?5-?Trifluoro-?3-?oxo-?pentanoic acid ethyl ester; ethyl (trifluoromethyl)acetoacetate |
IUPAC Name: | ethyl 5,5,5-trifluoro-3-oxopentanoate |
Description: | 5,5,5-Trifluoro-3-oxo-pentanoic Acid Ethyl Ester is a useful research chemical compound used in the preparation of arylquinoline derivatives as dual FABP inhibitors. |
Molecular Weight: | 198.1 |
Molecular Formula: | C7H9F3O3 |
Canonical SMILES: | CCOC(=O)CC(=O)CC(F)(F)F |
InChI: | InChI=1S/C7H9F3O3/c1-2-13-6(12)3-5(11)4-7(8,9)10/h2-4H2,1H3 |
InChI Key: | DMWAVAOXEHOQME-UHFFFAOYSA-N |
References: | Ceccarelli, S. M., et al. PCT Int. Appl. WO 2013064465, 211, (2013). |
Complexity: | 198 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.05037863 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.05037863 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 43.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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