4-[[4-(Trifluoromethoxy)anilino]methylidene]cyclohexa-2,5-dien-1-one
Basic information
- CAS
5375-28-0- Standard SMILES
Oc1ccc(C=Nc2ccc(OC(F)(F)F)cc2)cc1- InChIKey
UVKQJLFYTPXCCD-UHFFFAOYSA-N- Molecular formula
- C14H10F3NO2
- Average molar mass
- 281.23 g/mol
- Monoisotopic mass
- 281.06636305
Names & identifiers
- Preferred name
- 4-[[4-(Trifluoromethoxy)anilino]methylidene]cyclohexa-2,5-dien-1-one
- IUPAC
- 4-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol
- English name
- 4,4-Dimethyl-2-methylenevaleraldehyde
- Molecular formula
- C8H14O
- Molecular weight
- 126.2
Names & synonyms
5375-28-04-[[4-(trifluoromethoxy)anilino]methylidene]cyclohexa-2,5-dien-1-one4-{[4-(Trifluoromethoxy)anilino]methylidene}cyclohexa-2,5-dien-1-oneSCHEMBL2029255DTXSID20416402LOLSKPLZANPKPP-UHFFFAOYSA-NMFCD00979039STK003896AKOS000483470FC(Oc1ccc(cc1)N=Cc1ccc(cc1)O)(F)FST036043ZINC000000065756
Show more names
2-Neopentylacrolein.2-neopentyl-acrylaldehydePentanal, 4,4-dimethyl-2-methylene-4,4-Dimethyl-2-methylenevaleraldehyde
4((E)((4(trifluoromethoxy)phenyl)imino)methyl)phenol4-{(1E)-2-[4-(trifluoromethoxy)phenyl]-2-azavinyl}phenol
Database identifiers
- CAS
5375-28-0- PubChem CID
- 693635
- DTXSID
DTXSID20416402
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 317
Chemistry & industry
Applications
Uses2-Neopentyl-acrolein can be synthesized from Meldrum’s Acid (M215250) and 5-(Dimethylaminomethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione (D479423).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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