4,4,4-Trifluoro-1-(p-tolyl)butane-1,3-dione

• Catalog Number: ACM720945
• Product Name: 4,4,4-Trifluoro-1-(p-tolyl)butane-1,3-dione
• CAS: 720-94-5
• Category: Heterocyclic Organic Compound
• Synonyms: 4,4,4-Trifluoro-1-(p-tolyl)-1,3-butanedione; SC-17246; l-(4-Methylphenyl)-4,4,4-trifluorobutane-1,3-dione; KS-00000JNM; MFCD00517909 (97%); 1-(4-Methylphenyl)-4,4,4-trifluorobutane - 1,3- dione; 4,4,4-trifluoro-1-(p-tolyl)butane-1,3-dione; SY038487; ACT04868; ANW-73998
• IUPAC Name: 4,4,4-trifluoro-1-(4-methylphenyl)butane-1,3-dione
• Molecular Weight: 230.186g/mol
• Molecular Formula: C11H9F3O2
• Canonical SMILES: CC1=CC=C(C=C1)C(=O)CC(=O)C(F)(F)F
• InChI: InChI=1S/C11H9F3O2/c1-7-2-4-8(5-3-7)9(15)6-10(16)11(12,13)14/h2-5H,6H2,1H3
• InChI Key: WRZMHTIRFOFFPY-UHFFFAOYSA-N
• Application: A Celecoxib (Celebrex) intermediate
• Storage: -20°C Freezer
• Complexity: 275
• Covalently-Bonded Unit Count: 1
• EC Number: 615-712-2
• Exact Mass: 230.055g/mol
• H-Bond Acceptor: 5
• Heavy Atom Count: 16
• Monoisotopic Mass: 230.055g/mol
• Rotatable Bond Count: 3
• Topological Polar Surface Area: 34.1A^2

Custom Q&A

What is the molecular formula of 4,4,4-Trifluoro-1-(p-tolyl)butane-1,3-dione?

The molecular formula is C11H9F3O2.

What is the molecular weight of 4,4,4-Trifluoro-1-(p-tolyl)butane-1,3-dione?

The molecular weight is 230.18 g/mol.

What are some synonyms of 4,4,4-Trifluoro-1-(p-tolyl)butane-1,3-dione?

Some synonyms include 720-94-5, 4,4,4-trifluoro-1-(4-methylphenyl)butane-1,3-dione, and l-(4-Methylphenyl)-4,4,4-trifluorobutane-1,3-dione.

When was 4,4,4-Trifluoro-1-(p-tolyl)butane-1,3-dione created?

It was created on March 27, 2005.

What is the IUPAC name of 4,4,4-Trifluoro-1-(p-tolyl)butane-1,3-dione?

The IUPAC name is 4,4,4-trifluoro-1-(4-methylphenyl)butane-1,3-dione.

What is the InChI of 4,4,4-Trifluoro-1-(p-tolyl)butane-1,3-dione?

The InChI is InChI=1S/C11H9F3O2/c1-7-2-4-8(5-3-7)9(15)6-10(16)11(12,13)14/h2-5H,6H2,1H3.

What is the InChIKey of 4,4,4-Trifluoro-1-(p-tolyl)butane-1,3-dione?

The InChIKey is WRZMHTIRFOFFPY-UHFFFAOYSA-N.

What is the Canonical SMILES of 4,4,4-Trifluoro-1-(p-tolyl)butane-1,3-dione?

The Canonical SMILES is CC1=CC=C(C=C1)C(=O)CC(=O)C(F)(F)F.

What is the CAS number of 4,4,4-Trifluoro-1-(p-tolyl)butane-1,3-dione?

The CAS number is 720-94-5.