Basic information
- Standard SMILES
Cc1ccc(F)cc1C(C)(C)CC(=O)C(C)C- InChIKey
PBYUUZDOYWIAKR-UHFFFAOYSA-N- Molecular formula
- C15H21FO
- Average molar mass
- 236.32 g/mol
- Monoisotopic mass
- 236.15764345
Names & identifiers
- Preferred name
- 5-(5-Fluoro-2-methylphenyl)-2,5-dimethylhexan-3-one
- IUPAC
- 5-(5-fluoro-2-methylphenyl)-2,5-dimethylhexan-3-one
Names & synonyms
SCHEMBL5801445PBYUUZDOYWIAKR-UHFFFAOYSA-N5-(5-Fluoro-2-methylphenyl)-2,5-dimethylhexan-3-one
Database identifiers
- PubChem CID
- 60026331
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 270
Related reactions
1 records
Compound notes
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