Basic information
- CAS
35443-96-0- Standard SMILES
COc1cc(C(=O)C=C(C(F)(F)F)C(F)(F)F)cc(OC)c1OC- InChIKey
NMQKOYCTFZZJEN-UHFFFAOYSA-N- Molecular formula
- C14H12F6O4
- Average molar mass
- 358.23 g/mol
- Monoisotopic mass
- 358.06397783
Names & identifiers
- Preferred name
- Crotonophenone, 4,4,4-trifluoro-3-(trifluoromethyl)-3',4',5'-trimethoxy-
- IUPAC
- 4,4,4-trifluoro-3-(trifluoromethyl)-1-(3,4,5-trimethoxyphenyl)but-2-en-1-one
Names & synonyms
35443-96-0NSC 162064BRN 23057344,4,4-Trifluoro-3-trifluoromethyl-1-(3,4,5-trimethoxyphenyl)-2-buten-1-oneCROTONOPHENONE, 4,4,4-TRIFLUORO-3-(TRIFLUOROMETHYL)-3',4',5'-TRIMETHOXY-DTXSID801889364,4,4-Trifluoro-3-trifluoromethyl-3',4',5'-trimethoxycrotonophenoneRefChem:334516DTXCID40111427NSC1620644,4,4-trifluoro-3-(trifluoromethyl)-1-(3,4,5-trimethoxyphenyl)but-2-en-1-oneNSC-162064
Show more names
2-Buten-1-one, 4,4,4-trifluoro-3-(trifluoromethyl)-3',4',5'-trimethoxy-4,4,4-Trifluoro-3-(trifluoromethyl)-3',4',5'-trimethoxycrotonophenone
Database identifiers
- CAS
35443-96-0- PubChem CID
- 37138
- DTXSID
DTXSID80188936- Nikkaji
- J67.753A
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 441
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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