Basic information
- Standard SMILES
COc1cc(C(F)(F)F)ccc1-c1cccc2cc(S(=O)(=O)Oc3c(F)c(F)c(F)c(F)c3F)ccc12- InChIKey
HSLVLRSNUQXGJI-UHFFFAOYSA-N- Molecular formula
- C24H12F8O4S
- Average molar mass
- 548.4 g/mol
- Monoisotopic mass
- 548.03285533
Names & identifiers
- Preferred name
- Perfluorophenyl 5-(2-methoxy-4-(trifluoromethyl)phenyl)naphthalene-2-sulfonate
- IUPAC
- (2,3,4,5,6-pentafluorophenyl) 5-[2-methoxy-4-(trifluoromethyl)phenyl]naphthalene-2-sulfonate
Names & synonyms
perfluorophenyl 5-(2-methoxy-4-(trifluoromethyl)phenyl)naphthalene-2-sulfonateSCHEMBL15010345
Database identifiers
- PubChem CID
- 86687355
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 5
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 867
Related reactions
2 records
Compound notes
Loading…