Tridecyl heptafluorobutanoate
Basic information
- CAS
959088-59-6- Standard SMILES
CCCCCCCCCCCCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
FKKARSIBPSXBLN-UHFFFAOYSA-N- Molecular formula
- C17H27F7O2
- Average molar mass
- 396.4 g/mol
- Monoisotopic mass
- 396.18992723
Names & identifiers
- Preferred name
- Tridecyl heptafluorobutanoate
- IUPAC
- tridecyl 2,2,3,3,4,4,4-heptafluorobutanoate
Names & synonyms
959088-59-6Tridecyl perfluorobutanoatetridecyl heptafluorobutanoateDTXSID70873268Tridecyloate-2,2,3,3,4,4,4-heptafluorobutanoic acid
Database identifiers
- CAS
959088-59-6- PubChem CID
- 536402
- DTXSID
DTXSID70873268
Properties
Computed structural properties
- XLogP
- 8.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 15
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 395
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Related reactions
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Compound notes
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