Basic information
- Standard SMILES
CCOC(=O)C(=O)c1cccc(F)c1COC(C)(C)C- InChIKey
LYGXNTXSHRTKNU-UHFFFAOYSA-N- Molecular formula
- C15H19FO4
- Average molar mass
- 282.31 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-fluoro-2-[(1,1-dimethylethoxy)methyl]-alpha-oxo-benzeneacetate
- IUPAC
- ethyl 2-[3-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]phenyl]-2-oxoacetate
Names & synonyms
SCHEMBL8339581LYGXNTXSHRTKNU-UHFFFAOYSA-Nethyl 3-fluoro-2-[(1,1-dimethylethoxy)methyl]-alpha-oxo-benzeneacetate
Database identifiers
- PubChem CID
- 21836286
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 348
Related reactions
4 records
Compound notes
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