Basic information
- CAS
672887-35-3- Standard SMILES
CNc1ccc(Oc2c(F)c(F)nc(F)c2F)cc1- InChIKey
QNTVJUDODDAUOK-UHFFFAOYSA-N- Molecular formula
- C12H8F4N2O
- Average molar mass
- 272.2 g/mol
- Monoisotopic mass
- 272.05727553
Names & identifiers
- Preferred name
- N-methyl-4-(2,3,5,6-tetrafluoropyridin-4-yl)oxyaniline
- IUPAC
- N-methyl-4-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]aniline
Names & synonyms
N-methyl-4-[(2,3,5,6-tetrafluoropyridin-4-yl)oxy]anilineN-methyl-4-(2,3,5,6-tetrafluoropyridin-4-yl)oxyaniline672887-35-3MLS001164840CHEMBL1704493DTXSID201326750HMS2867M12STK552350AKOS005479584SMR000540108N-methyl-4-((perfluoropyridin-4-yl)oxy)aniline
Database identifiers
- CAS
672887-35-3- PubChem CID
- 950438
- DTXSID
DTXSID201326750- ChEMBL
CHEMBL1704493
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 34.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 275
Experimental & physicochemical properties
Solubility6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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