Basic information
- Standard SMILES
COC(=O)CCCCCC(=O)c1ccc(F)cc1- InChIKey
OTMJFLQPXWXUCF-UHFFFAOYSA-N- Molecular formula
- C14H17FO3
- Average molar mass
- 252.28 g/mol
Names & identifiers
- Preferred name
- Methyl 7-(4-fluorophenyl)-7-oxoheptanoate
- IUPAC
- methyl 7-(4-fluorophenyl)-7-oxoheptanoate
Names & synonyms
SCHEMBL8742927OTMJFLQPXWXUCF-UHFFFAOYSA-Nmethyl 7-(4-fluorophenyl)-7-oxoheptanoate
Database identifiers
- PubChem CID
- 19936161
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 270
Related reactions
3 records
Compound notes
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