Basic information
- Standard SMILES
COC(=O)C(C)(CCC(F)(F)C(F)(F)F)S(=O)(=O)CCC(F)(F)F- InChIKey
YECIXCPPHAFEME-UHFFFAOYSA-N- Molecular formula
- C11H14F8O4S
- Average molar mass
- 394.28 g/mol
- Monoisotopic mass
- 394.04850539
Names & identifiers
- Preferred name
- Methyl 5,5,6,6,6-pentafluoro-2-methyl-2-(3,3,3-trifluoropropylsulfonyl)hexanoate
- IUPAC
- methyl 5,5,6,6,6-pentafluoro-2-methyl-2-(3,3,3-trifluoropropylsulfonyl)hexanoate
Names & synonyms
SCHEMBL2434721YECIXCPPHAFEME-UHFFFAOYSA-Nmethyl 5,5,6,6,6-pentafluoro-2-methyl-2-(3,3,3-trifluoropropylsulfonyl)hexanoate
Database identifiers
- PubChem CID
- 57788395
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 546
Related reactions
1 records
Compound notes
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