4,4,4-Trifluoro-1-(thiophen-2-yl)-3-(trifluoromethyl)but-2-en-1-one
Basic information
- CAS
35554-26-8- Standard SMILES
O=C(C=C(C(F)(F)F)C(F)(F)F)c1cccs1- InChIKey
PLUJSFSOYSINCW-UHFFFAOYSA-N- Molecular formula
- C9H4F6OS
- Average molar mass
- 274.18 g/mol
- Monoisotopic mass
- 273.98870489
Names & identifiers
- Preferred name
- 4,4,4-Trifluoro-1-(thiophen-2-yl)-3-(trifluoromethyl)but-2-en-1-one
- IUPAC
- 4,4,4-trifluoro-1-thiophen-2-yl-3-(trifluoromethyl)but-2-en-1-one
Names & synonyms
35554-26-84,4,4-trifluoro-1-(thiophen-2-yl)-3-(trifluoromethyl)but-2-en-1-oneNSC160095DTXSID80303687NSC-1600952-Buten-1-one, 4,4,4-trifluoro-1-(thiophen-2-yl)-3-(trifluoromethyl)
Database identifiers
- CAS
35554-26-8- PubChem CID
- 293479
- DTXSID
DTXSID80303687
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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