1-(3-Chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-1-one
Basic information
- CAS
35443-98-2- Standard SMILES
O=C(C=C(C(F)(F)F)C(F)(F)F)c1cccc(Cl)c1- InChIKey
LVVJIORQKVVAAF-UHFFFAOYSA-N- Molecular formula
- C11H5ClF6O
- Average molar mass
- 302.6 g/mol
- Monoisotopic mass
- 301.9933114
Names & identifiers
- Preferred name
- 1-(3-Chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-1-one
- IUPAC
- 1-(3-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-1-one
Names & synonyms
35443-98-21-(3-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-1-oneNSC160230DTXSID103036952-Buten-1-one,1-(3-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)-NSC-160230DS-0130572-Buten-1-one, 1-(3-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)-
Database identifiers
- CAS
35443-98-2- PubChem CID
- 293572
- DTXSID
DTXSID10303695
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 354
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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