5-(2,3-Difluorophenyl)-3-trifluoromethoxyphenol
Basic information
- CAS
1261990-06-0- Standard SMILES
Oc1cc(OC(F)(F)F)cc(-c2cccc(F)c2F)c1- InChIKey
XXDHNHUBOFYNSR-UHFFFAOYSA-N- Molecular formula
- C13H7F5O2
- Average molar mass
- 290.18 g/mol
- Monoisotopic mass
- 290.03662027
Names & identifiers
- Preferred name
- 5-(2,3-Difluorophenyl)-3-trifluoromethoxyphenol
- IUPAC
- 3-(2,3-difluorophenyl)-5-(trifluoromethoxy)phenol
Names & synonyms
1261990-06-05-(2,3-DIFLUOROPHENYL)-3-TRIFLUOROMETHOXYPHENOL3-(2,3-difluorophenyl)-5-(trifluoromethoxy)phenolMFCD18316274DTXSID006865855-(2,3-Difluorophenyl)-3-trifluoromethoxyphenol, 95%2',3'-Difluoro-5-(trifluoromethoxy)[1,1'-biphenyl]-3-ol
Database identifiers
- CAS
1261990-06-0- PubChem CID
- 53221997
- DTXSID
DTXSID00686585
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 322
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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