1-(4-Chloronaphthalen-1-yl)-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-1-one
Basic information
- CAS
35554-25-7- Standard SMILES
O=C(C=C(C(F)(F)F)C(F)(F)F)c1ccc(Cl)c2ccccc12- InChIKey
HPEOMQZRIRUKRB-UHFFFAOYSA-N- Molecular formula
- C15H7ClF6O
- Average molar mass
- 352.66 g/mol
- Monoisotopic mass
- 352.0089615
Names & identifiers
- Preferred name
- 1-(4-Chloronaphthalen-1-yl)-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-1-one
- IUPAC
- 1-(4-chloronaphthalen-1-yl)-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-1-one
Names & synonyms
35554-25-71-(4-chloronaphthalen-1-yl)-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-1-oneNSC162103DTXSID10303796NSC-1621032-Buten-1-one, 1-(4-chloronaphthalen-1-yl)-4,4,4-trifluoro-3-(trifluoromethyl)-
Database identifiers
- CAS
35554-25-7- PubChem CID
- 294131
- DTXSID
DTXSID10303796
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 465
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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