5-(4-Fluorophenyl)-3-trifluoromethoxyphenol

HCID 53221925

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Basic information

CAS: 1261919-64-5
Standard SMILES: Oc1cc(OC(F)(F)F)cc(-c2ccc(F)cc2)c1
InChIKey: DNVIUZJBOWJPSK-UHFFFAOYSA-N
Molecular formula: C13H8F4O2
Average molar mass: 272.19 g/mol
Monoisotopic mass: 272.04604214

Names & identifiers

Preferred name: 5-(4-Fluorophenyl)-3-trifluoromethoxyphenol
IUPAC: 3-(4-fluorophenyl)-5-(trifluoromethoxy)phenol

Names & synonyms

1261919-64-55-(4-FLUOROPHENYL)-3-TRIFLUOROMETHOXYPHENOL3-(4-fluorophenyl)-5-(trifluoromethoxy)phenolMFCD183162025-(4-Fluorophenyl)-3-trifluoromethoxyphenol, 95%SCHEMBL21945512DTXSID30686513DNVIUZJBOWJPSK-UHFFFAOYSA-N4'-Fluoro-5-(trifluoromethoxy)[1,1'-biphenyl]-3-ol

Database identifiers

CAS: 1261919-64-5
PubChem CID: 53221925
DTXSID: DTXSID30686513

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 287

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