Basic information
- CAS
35444-00-9- Standard SMILES
O=C(C=C(C(F)(F)F)C(F)(F)F)c1cc(Cl)ccc1Cl- InChIKey
RPPCXZITJASEBS-UHFFFAOYSA-N- Molecular formula
- C11H4Cl2F6O
- Average molar mass
- 337.04 g/mol
- Monoisotopic mass
- 335.9543391
Names & identifiers
- Preferred name
- 1-(2,5-Dichlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-1-one
- IUPAC
- 1-(2,5-dichlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-1-one
Names & synonyms
35444-00-91-(2,5-dichlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-1-oneNSC162204DTXSID50303811NSC-1622042-Buten-1-one,5-dichlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)-2-Buten-1-one, 1-(2,5-dichlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)-
Database identifiers
- CAS
35444-00-9- PubChem CID
- 294196
- DTXSID
DTXSID50303811
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 385
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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