Basic information
- Standard SMILES
CCOC(=O)C(=O)c1ccc(C2CCCCC2)c(F)c1- InChIKey
ZIZQUJKLIHKWDY-UHFFFAOYSA-N- Molecular formula
- C16H19FO3
- Average molar mass
- 278.32 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-fluoro-4-cyclohexylphenylglyoxylate
- IUPAC
- ethyl 2-(4-cyclohexyl-3-fluorophenyl)-2-oxoacetate
Names & synonyms
52506-76-0ethyl 2-(4-cyclohexyl-3-fluorophenyl)-2-oxoacetateBenzeneacetic acid, 2-hydroxy-alpha-oxo-, 1,1-dimethylethyl esterSCHEMBL11232893ZIZQUJKLIHKWDY-UHFFFAOYSA-Nethyl 3-fluoro-4-cyclohexylphenylglyoxylate
Database identifiers
- PubChem CID
- 20515163
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 350
Related reactions
20 records
Linked notes
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