5-(5-Cyano-2-fluorophenyl)-3-trifluoromethoxyphenol

HCID 53222007

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Basic information

CAS: 1261990-11-7
Standard SMILES: N#Cc1ccc(F)c(-c2cc(O)cc(OC(F)(F)F)c2)c1
InChIKey: PUDRIONLFJUBHE-UHFFFAOYSA-N
Molecular formula: C14H7F4NO2
Average molar mass: 297.2 g/mol
Monoisotopic mass: 297.04129111

Names & identifiers

Preferred name: 5-(5-Cyano-2-fluorophenyl)-3-trifluoromethoxyphenol
IUPAC: 4-fluoro-3-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzonitrile

Names & synonyms

1261990-11-75-(5-CYANO-2-FLUOROPHENYL)-3-TRIFLUOROMETHOXYPHENOL4-fluoro-3-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzonitrileMFCD18316284DTXSID506865955-(5-Cyano-2-fluorophenyl)-3-trifluoromethoxyphenol, 95%6-Fluoro-3'-hydroxy-5'-(trifluoromethoxy)[1,1'-biphenyl]-3-carbonitrile

Database identifiers

CAS: 1261990-11-7
PubChem CID: 53222007
DTXSID: DTXSID50686595

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 53.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 2
Heavy atoms: 21
Formal charge: 0
Complexity: 406

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