Basic information
- Standard SMILES
CCCCCC(=O)c1cc(F)c(OC)c(Cl)c1- InChIKey
FUMCMGMDFALFIS-UHFFFAOYSA-N- Molecular formula
- C13H16ClFO2
- Average molar mass
- 258.71 g/mol
Names & identifiers
- Preferred name
- 1-(3-Chloro-5-fluoro-4-methoxyphenyl)-1-hexanone
- IUPAC
- 1-(3-chloro-5-fluoro-4-methoxyphenyl)hexan-1-one
Names & synonyms
SCHEMBL2425789FUMCMGMDFALFIS-UHFFFAOYSA-N1-(3-chloro-5-fluoro-4-methoxyphenyl)-1-hexanone
Database identifiers
- PubChem CID
- 21990938
- Nikkaji
- J2.451.800K
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 248
Related reactions
3 records
Compound notes
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