Basic information
- Standard SMILES
O=C(CC(S)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
CHGYFCHXSHYGKA-UHFFFAOYSA-N- Molecular formula
- C20H12F26O4S
- Average molar mass
- 842.3 g/mol
- Monoisotopic mass
- 842.0041122
Names & identifiers
- Preferred name
- 2-Mercaptosuccinic acid bis-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) ester
- IUPAC
- bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) 2-sulfanylbutanedioate
Names & synonyms
2-mercaptosuccinic acid bis-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) esterSCHEMBL3277060
Database identifiers
- PubChem CID
- 87503523
Properties
Computed structural properties
- XLogP
- 9.9
- Topological polar surface area
- 53.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 31
- Rotatable bonds
- 19
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,240
Related reactions
1 records
Compound notes
Loading…