Basic information
- Standard SMILES
O=C(CCCCO)c1cc(C(F)(F)F)ccc1Cl- InChIKey
OUMVYPXVYMLOIC-UHFFFAOYSA-N- Molecular formula
- C12H12ClF3O2
- Average molar mass
- 280.67 g/mol
- Monoisotopic mass
- 280.0477918
Names & identifiers
- Preferred name
- 4-(2-Chloro-5-trifluoromethylbenzoyl)-1-butanol
- IUPAC
- 1-[2-chloro-5-(trifluoromethyl)phenyl]-5-hydroxypentan-1-one
Names & synonyms
4-(2-Chloro-5-trifluoromethylbenzoyl)-1-butanolSCHEMBL6991883
Database identifiers
- PubChem CID
- 22012164
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 281
Related reactions
5 records
Compound notes
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