5-(2,5-Difluorophenyl)-3-trifluoromethylphenol

HCID 53222000

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Basic information

CAS: 1261933-43-0
Standard SMILES: Oc1cc(-c2cc(F)ccc2F)cc(C(F)(F)F)c1
InChIKey: UKWCSJFJSINYJT-UHFFFAOYSA-N
Molecular formula: C13H7F5O
Average molar mass: 274.19 g/mol
Monoisotopic mass: 274.04170565

Names & identifiers

Preferred name: 5-(2,5-Difluorophenyl)-3-trifluoromethylphenol
IUPAC: 3-(2,5-difluorophenyl)-5-(trifluoromethyl)phenol

Names & synonyms

1261933-43-03-(2,5-difluorophenyl)-5-(trifluoromethyl)phenolMFCD183162775-(2,5-DIFLUOROPHENYL)-3-TRIFLUOROMETHYLPHENOL5-(2,5-Difluorophenyl)-3-trifluoromethylphenol, 95%DTXSID80686588A1-1130772',5'-Difluoro-5-(trifluoromethyl)[1,1'-biphenyl]-3-ol2',5'-Difluoro-5-(trifluoromethyl)-[1,1'-biphenyl]-3-ol

Database identifiers

CAS: 1261933-43-0
PubChem CID: 53222000
DTXSID: DTXSID80686588

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 1
Heavy atoms: 19
Formal charge: 0
Complexity: 306

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