Basic information
- Standard SMILES
COC(=O)C(=Cc1ccc(F)cc1)C(=O)C(C)C- InChIKey
YDAOZDSGRPENAG-UHFFFAOYSA-N- Molecular formula
- C14H15FO3
- Average molar mass
- 250.26 g/mol
Names & identifiers
- Preferred name
- Methyl 2-[(4-fluorophenyl)methylidene]-4-methyl-3-oxopentanoate
- IUPAC
- methyl 2-[(4-fluorophenyl)methylidene]-4-methyl-3-oxopentanoate
Names & synonyms
METHYL 2-[(4-FLUOROPHENYL)METHYLIDENE]-4-METHYL-3-OXOPENTANOATEmethyl 3-(4-fluorophenyl)-2-isobutyrylacrylateRosuvastatin Impurity 107SCHEMBL3181455YDAOZDSGRPENAG-UHFFFAOYSA-NAKOS030241369Methyl 2-[(4-fluorophenyl)methylene]-4-methyl-3-oxopentanoate
Database identifiers
- PubChem CID
- 54501938
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 339
Related reactions
4 records
Compound notes
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