Basic information
- CAS
72131-80-7- Standard SMILES
CC(C)=NOC(=O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1- InChIKey
IBHCSFXTRODDNR-UHFFFAOYSA-N- Molecular formula
- C19H18F3NO4
- Average molar mass
- 381.3 g/mol
- Monoisotopic mass
- 381.11879272
Names & identifiers
- Preferred name
- 2-Propanone, O-(1-oxo-2-(4-(4-(trifluoromethyl)phenoxy)pheoxy)propyl)oxime
- IUPAC
- (propan-2-ylideneamino) 2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoate
Names & synonyms
72131-80-72-Propanone, O-(1-oxo-2-(4-(4-(trifluoromethyl)phenoxy)pheoxy)propyl)oximeSCHEMBL11149620DTXSID601033202acetone O-[2-[p-(p-trifluoromethylphenoxy)phenoxy]propionyl]-oxime2-Propanone, O-[1-Oxo-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propyl]oxime1-Propanone, 1-[[(1-methylethylidene)amino]oxy]-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]-
Database identifiers
- CAS
72131-80-7- PubChem CID
- 3036772
- DTXSID
DTXSID601033202
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 57.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 504
Related reactions
3 records
Compound notes
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