Basic information
- Standard SMILES
COC(=O)C(Cl)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)CCC(F)(F)F- InChIKey
LLNUJKHOKHXQJL-UHFFFAOYSA-N- Molecular formula
- C12H11ClF12O4S
- Average molar mass
- 514.71 g/mol
Names & identifiers
- Preferred name
- Methyl 2-chloro-5,5,6,6,7,7,8,8,8-nonafluoro-2-(3,3,3-trifluoropropylsulfonyl)octanoate
- IUPAC
- methyl 2-chloro-5,5,6,6,7,7,8,8,8-nonafluoro-2-(3,3,3-trifluoropropylsulfonyl)octanoate
Names & synonyms
SCHEMBL2432032LLNUJKHOKHXQJL-UHFFFAOYSA-Nmethyl 2-chloro-5,5,6,6,7,7,8,8,8-nonafluoro-2-(3,3,3-trifluoropropylsulfonyl)octanoate
Database identifiers
- PubChem CID
- 57788431
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 725
Related reactions
2 records
Compound notes
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