Basic information
- CAS
1261978-39-5- Standard SMILES
Oc1cc(OC(F)(F)F)cc(-c2cc(F)ccc2F)c1- InChIKey
ZPTBIZCETZUJMS-UHFFFAOYSA-N- Molecular formula
- C13H7F5O2
- Average molar mass
- 290.18 g/mol
- Monoisotopic mass
- 290.03662027
Names & identifiers
- Preferred name
- 5-(2,5-Difluorophenyl)-3-trifluoromethoxyphenol
- IUPAC
- 3-(2,5-difluorophenyl)-5-(trifluoromethoxy)phenol
Names & synonyms
1261978-39-55-(2,5-DIFLUOROPHENYL)-3-TRIFLUOROMETHOXYPHENOLDTXSID406865893-(2,5-difluorophenyl)-5-(trifluoromethoxy)phenol5-(2,5-Difluorophenyl)-3-trifluoromethoxyphenol, 95%2',5'-Difluoro-5-(trifluoromethoxy)[1,1'-biphenyl]-3-ol
Database identifiers
- CAS
1261978-39-5- PubChem CID
- 53222001
- DTXSID
DTXSID40686589
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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