Basic information
- CAS
339240-67-4- Standard SMILES
Oc1ccccc1C=Nc1cc(C(F)(F)F)ccc1OCC(F)(F)C(F)(F)C(F)(F)C(F)F- InChIKey
BQPOXEQQFKSDQV-UHFFFAOYSA-N- Molecular formula
- C19H12F11NO2
- Average molar mass
- 495.3 g/mol
- Monoisotopic mass
- 495.06923841
Names & identifiers
- Preferred name
- 2-[(E)-({2-[(2,2,3,3,4,4,5,5-octafluoropentyl)oxy]-5-(trifluoromethyl)phenyl}imino)methyl]phenol
- IUPAC
- 2-[[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol
Names & synonyms
BQPOXEQQFKSDQV-OWNKRRAQSA-NDTXSID301353445STK669640AKOS0017330492-[5-Trifluoromethyl-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)phenyliminomethyl]phenolPhenol, 2-[5-trifluoromethyl-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)phenyliminomethyl]-2-((E)-([2-[(2,2,3,3,4,4,5,5-Octafluoropentyl)oxy]-5-(trifluoromethyl)phenyl]imino)methyl)phenol #2-[({2-[(2,2,3,3,4,4,5,5-octafluoropentyl)oxy]-5-(trifluoromethyl)phenyl}imino)methyl]phenol2-[(E)-({2-[(2,2,3,3,4,4,5,5-octafluoropentyl)oxy]-5-(trifluoromethyl)phenyl}imino)methyl]phenol339240-67-4
Database identifiers
- CAS
339240-67-4- PubChem CID
- 604649
- DTXSID
DTXSID301353445
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 669
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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