Basic information
- CAS
586954-33-8- Standard SMILES
Fc1c(F)c(-c2ccc(-c3ccc(-c4c(F)c(F)c(-c5cccs5)c(F)c4F)s3)s2)c(F)c(F)c1-c1cccs1- InChIKey
AQNKDDUDXUIKKA-UHFFFAOYSA-N- Molecular formula
- C28H10F8S4
- Average molar mass
- 626.6 g/mol
- Monoisotopic mass
- 625.95376031
Names & identifiers
- Preferred name
- 5,5'-Bis[2,3,5,6-tetrafluoro-4-(thiophen-2-yl)phenyl]-2,2'-bithiophene
- IUPAC
- 2-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)-5-[5-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)thiophen-2-yl]thiophene
Names & synonyms
586954-33-85,5'-Bis[2,3,5,6-tetrafluoro-4-(thiophen-2-yl)phenyl]-2,2'-bithiopheneSCHEMBL12608072DTXSID60610927
Database identifiers
- CAS
586954-33-8- PubChem CID
- 21131069
- DTXSID
DTXSID60610927- Nikkaji
- J1.953.040J
Properties
Computed structural properties
- XLogP
- 9.8
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 5
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 774
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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