Basic information
- CAS
35444-02-1- Standard SMILES
O=C(C=C(C(F)(F)F)C(F)(F)F)c1ccc(F)cc1- InChIKey
PEXOKBNSWSJVAM-UHFFFAOYSA-N- Molecular formula
- C11H5F7O
- Average molar mass
- 286.14 g/mol
- Monoisotopic mass
- 286.02286191
Names & identifiers
- Preferred name
- Crotonophenone, 4'-fluoro-4,4,4-trifluoro-3-(trifluoromethyl)-
- IUPAC
- 4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)but-2-en-1-one
Names & synonyms
35444-02-1NSC 160223BRN 21472581-(p-Fluorophenyl)-4,4,4-trifluoro-3-trifluoromethyl-2-buten-1-oneCROTONOPHENONE, 4'-FLUORO-4,4,4-TRIFLUORO-3-(TRIFLUOROMETHYL)-4'-Fluoro-4,4,4-trifluoro-3-trifluoromethylcrotonophenoneDTXSID00188938RefChem:334513DTXCID60111429NSC1602234,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)but-2-en-1-oneNSC-160223
Show more names
4'-Fluoro-4,4,4-trifluoro-3-(trifluoromethyl)crotonophenone2-Buten-1-one, 4'-fluoro-4,4,4-trifluoro-3-(trifluoromethyl)-2-Buten-1-one,4,4-trifluoro-1-(4-fluorophenyl)-3- (trifluoromethyl)-
Database identifiers
- CAS
35444-02-1- PubChem CID
- 37140
- DTXSID
DTXSID00188938- Nikkaji
- J67.748E
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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