Basic information
- Standard SMILES
COC(=O)C(CCC(F)(F)C(F)(F)Br)S(=O)(=O)CCC(F)(F)F- InChIKey
YQAHOXLNZSXUTN-UHFFFAOYSA-N- Molecular formula
- C10H12BrF7O4S
- Average molar mass
- 441.16 g/mol
Names & identifiers
- Preferred name
- Methyl 6-bromo-5,5,6,6-tetrafluoro-2-(3,3,3-trifluoropropylsulfonyl)hexanoate
- IUPAC
- methyl 6-bromo-5,5,6,6-tetrafluoro-2-(3,3,3-trifluoropropylsulfonyl)hexanoate
Names & synonyms
methyl 6-bromo-5,5,6,6-tetrafluoro-2-(3,3,3-trifluoropropylsulfonyl)hexanoateSCHEMBL1018058
Database identifiers
- PubChem CID
- 59370910
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 512
Related reactions
2 records
Compound notes
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