Basic information
- Standard SMILES
COC(=O)C(C)(CCCC(F)(F)F)S(=O)(=O)CCC(F)(F)F- InChIKey
DPICNGDLABKMEV-UHFFFAOYSA-N- Molecular formula
- C11H16F6O4S
- Average molar mass
- 358.3 g/mol
- Monoisotopic mass
- 358.06734913
Names & identifiers
- Preferred name
- Methyl 6,6,6-trifluoro-2-methyl-2-(3,3,3-trifluoropropylsulfonyl)hexanoate
- IUPAC
- methyl 6,6,6-trifluoro-2-methyl-2-(3,3,3-trifluoropropylsulfonyl)hexanoate
Names & synonyms
SCHEMBL2428757DPICNGDLABKMEV-UHFFFAOYSA-Nmethyl 6,6,6-trifluoro-2-methyl-2-(3,3,3-trifluoropropylsulfonyl)hexanoate
Database identifiers
- PubChem CID
- 57788430
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 476
Related reactions
1 records
Compound notes
Loading…