Octyl heptafluorobutanoate
Basic information
- CAS
1650-36-8- Standard SMILES
CCCCCCCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
DXMQPJXBXIRBMD-UHFFFAOYSA-N- Molecular formula
- C12H17F7O2
- Average molar mass
- 326.25 g/mol
- Monoisotopic mass
- 326.11167692
Names & identifiers
- Preferred name
- Octyl heptafluorobutanoate
- IUPAC
- octyl 2,2,3,3,4,4,4-heptafluorobutanoate
Names & synonyms
Octyl heptafluorobutanoateOctyl heptafluorobutyrateDTXSID501353358Heptafluorobutyric acid, octyl esterButanoic acid, heptafluoro, octyl ester1650-36-8
Database identifiers
- CAS
1650-36-8- PubChem CID
- 6428477
- DTXSID
DTXSID501353358
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 326
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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