2,5-Bis(4-fluorophenyl)-1,3,4-oxadiazole
Basic information
- CAS
324-81-2- Standard SMILES
Fc1ccc(-c2nnc(-c3ccc(F)cc3)o2)cc1- InChIKey
WYQRIUQJMLUJMA-UHFFFAOYSA-N- Molecular formula
- C14H8F2N2O
- Average molar mass
- 258.22 g/mol
- Monoisotopic mass
- 258.06046921
Names & identifiers
- Preferred name
- 2,5-Bis(4-fluorophenyl)-1,3,4-oxadiazole
- IUPAC
- 2,5-bis(4-fluorophenyl)-1,3,4-oxadiazole
Names & synonyms
2,5-bis(4-fluorophenyl)-1,3,4-oxadiazole324-81-22,5-Bis-(4-fluorophenyl)-1,3,4-oxadiazoleNSC90462CBMicro_016572BIS(4-FLUOROPHENYL)-1,3,4-OXADIAZOLECambridge id 53014191,3,4-Oxadiazole, 2,5-bis(4-fluorophenyl)-MLS001000523SCHEMBL2289115CHEMBL1371088DTXSID80293539
Show more names
WYQRIUQJMLUJMA-UHFFFAOYSA-NHMS2834I24CCG-5446NSC-90462AKOS028111202NCGC00187500-01SMR000496106BIM-0016442.P001
Database identifiers
- CAS
324-81-2- PubChem CID
- 259840
- DTXSID
DTXSID80293539- ChEMBL
CHEMBL1371088- Nikkaji
- J693.602D
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 261
Experimental & physicochemical properties
SpringerMaterials PropertiesLuminescence
Solubility<0.3 [ug/mL] (The mean of the results at pH 7.4)
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