4,4,4-Trifluoro-2-methyl-1-(5-methylfuran-2-yl)butane-1,3-dione
Basic information
- CAS
579-40-8- Standard SMILES
Cc1ccc(C(=O)C(C)C(=O)C(F)(F)F)o1- InChIKey
AKTUINDWRSSVIL-UHFFFAOYSA-N- Molecular formula
- C10H9F3O3
- Average molar mass
- 234.17 g/mol
- Monoisotopic mass
- 234.05037863
Names & identifiers
- Preferred name
- 4,4,4-Trifluoro-2-methyl-1-(5-methylfuran-2-yl)butane-1,3-dione
- IUPAC
- 4,4,4-trifluoro-2-methyl-1-(5-methylfuran-2-yl)butane-1,3-dione
Names & synonyms
579-40-84,4,4-trifluoro-2-methyl-1-(5-methylfuran-2-yl)butane-1,3-dioneNSC80431DTXSID30292133NSC-80431DS-0145994,4,4-trifluoro-2-methyl-1-(5-methyl-2-furyl)butane-1,3-dione
Database identifiers
- CAS
579-40-8- PubChem CID
- 255174
- DTXSID
DTXSID30292133
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 298
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Related reactions
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Compound notes
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