5-(4-Fluoro-2-hydroxyphenyl)-3-trifluoromethoxyphenol

HCID 53221977

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Basic information

CAS: 1261984-04-6
Standard SMILES: Oc1cc(OC(F)(F)F)cc(-c2ccc(F)cc2O)c1
InChIKey: ZCLMUIHLWMLHBO-UHFFFAOYSA-N
Molecular formula: C13H8F4O3
Average molar mass: 288.19 g/mol
Monoisotopic mass: 288.04095676

Names & identifiers

Preferred name: 5-(4-Fluoro-2-hydroxyphenyl)-3-trifluoromethoxyphenol
IUPAC: 5-fluoro-2-[3-hydroxy-5-(trifluoromethoxy)phenyl]phenol

Names & synonyms

1261984-04-65-(4-FLUORO-2-HYDROXYPHENYL)-3-TRIFLUOROMETHOXYPHENOLDTXSID00686565ITA52555LAC984042-bromo-4,4-dimethyl-5H-1,3-oxazole5-fluoro-2-[3-hydroxy-5-(trifluoromethoxy)phenyl]phenol4-Fluoro-5'-(trifluoromethoxy)[1,1'-biphenyl]-2,3'-diol5-(4-Fluoro-2-hydroxyphenyl)-3-trifluoromethoxyphenol, 95%

Database identifiers

CAS: 1261984-04-6
PubChem CID: 53221977
DTXSID: DTXSID00686565

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 49.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 2
Heavy atoms: 20
Formal charge: 0
Complexity: 323

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