Ethyl 2-bromo-4,4,4-trifluoro-3-oxobutanoate

• Catalog Number: ACM4544438
• Product Name: Ethyl 2-bromo-4,4,4-trifluoro-3-oxobutanoate
• CAS: 4544-43-8
• Category: Bromine Series
• Synonyms: ethyl 2-bromo-4,4,4-trifluoro-3-oxobutanoate, 4544-43-8, Ethyl trifluoroacetylbromoacetate, Ethyl pound inverted question mark2-Bromo-4,4,4-trifluoro-3-oxobutanoate, PubChem24144, AC1MD23K, CTK4I8809, MolPort-001-776-252, PC5768, SBB102617, AKOS007930425, AG-F-57888, AK-43674, KB-85588, ethyl 2-bromo-4,4,4-trifluoroacetoacetate, A22150, Ethyl 2-bromo-3-oxo-4,4,4-trifluorobutanoate
• IUPAC Name: ethyl 2-bromo-4,4,4-trifluoro-3-oxobutanoate
• Molecular Weight: 263.009
• Molecular Formula: C₆H₆BrF₃O₃
• Canonical SMILES: CCOC(=O)C(C(=O)C(F)(F)F)Br
• InChI Key: ZJTZICBXLSNOHU-UHFFFAOYSA-N
• Boiling Point: 199ºC
• Flash Point: 74ºC
• Density: 1.663
• Exact Mass: 261.94500
• H-Bond Acceptor: 6
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of ethyl 2-bromo-4,4,4-trifluoro-3-oxobutanoate?

The molecular formula is C6H6BrF3O3.

What is the IUPAC name of ethyl 2-bromo-4,4,4-trifluoro-3-oxobutanoate?

The IUPAC name is ethyl 2-bromo-4,4,4-trifluoro-3-oxobutanoate.

What is the InChI of ethyl 2-bromo-4,4,4-trifluoro-3-oxobutanoate?

The InChI is InChI=1S/C6H6BrF3O3/c1-2-13-5(12)3(7)4(11)6(8,9)10/h3H,2H2,1H3.

What is the InChIKey of ethyl 2-bromo-4,4,4-trifluoro-3-oxobutanoate?

The InChIKey is ZJTZICBXLSNOHU-UHFFFAOYSA-N.

What is the canonical SMILES of ethyl 2-bromo-4,4,4-trifluoro-3-oxobutanoate?

The canonical SMILES is CCOC(=O)C(C(=O)C(F)(F)F)Br.

What is the molecular weight of ethyl 2-bromo-4,4,4-trifluoro-3-oxobutanoate?

The molecular weight is 263.01 g/mol.

What is the XLogP3-AA of ethyl 2-bromo-4,4,4-trifluoro-3-oxobutanoate?

The XLogP3-AA is 2.3.

How many hydrogen bond donor counts does ethyl 2-bromo-4,4,4-trifluoro-3-oxobutanoate have?

It has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does ethyl 2-bromo-4,4,4-trifluoro-3-oxobutanoate have?

It has 6 hydrogen bond acceptor counts.

How many rotatable bond counts does ethyl 2-bromo-4,4,4-trifluoro-3-oxobutanoate have?

It has 4 rotatable bond counts.