Basic information
- CAS
34844-24-1- Standard SMILES
CCC(C(=O)c1ccc(Cl)cc1)C(O)(C(F)(F)F)C(F)(F)F- InChIKey
ZFFARXCHORPJTO-UHFFFAOYSA-N- Molecular formula
- C13H11ClF6O2
- Average molar mass
- 348.67 g/mol
- Monoisotopic mass
- 348.0351763
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)-2-ethyl-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-1-one
- IUPAC
- 1-(4-chlorophenyl)-2-ethyl-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-1-one
Names & synonyms
1-(4-chlorophenyl)-2-ethyl-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-1-one34844-24-1NSC162183ZFFARXCHORPJTO-UHFFFAOYSA-NNSC-162183
Database identifiers
- CAS
34844-24-1- PubChem CID
- 294181
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 384
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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