2-Perfluoroheptyl-5-phenyl-1,3,4-oxadiazole
Basic information
- CAS
5756-55-8- Standard SMILES
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nnc(-c2ccccc2)o1- InChIKey
YNHVEOXJDBDTKS-UHFFFAOYSA-N- Molecular formula
- C15H5F15N2O
- Average molar mass
- 514.19 g/mol
- Monoisotopic mass
- 514.0162352
Names & identifiers
- Preferred name
- 2-Perfluoroheptyl-5-phenyl-1,3,4-oxadiazole
- IUPAC
- 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-5-phenyl-1,3,4-oxadiazole
Names & synonyms
2-Perfluoroheptyl-5-phenyl-1,3,4-oxadiazole5756-55-8DTXSID902061952-(Pentadecafluoroheptyl)-5-phenyl-1,3,4-oxadiazole
Database identifiers
- CAS
5756-55-8- PubChem CID
- 138583
- DTXSID
DTXSID90206195
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 702
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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