Basic information
- CAS
118460-49-4- Standard SMILES
CCCCCC(=O)C(F)(F)C(=O)OCC- InChIKey
PNIQWEWMZJOWIO-UHFFFAOYSA-N- Molecular formula
- C10H16F2O3
- Average molar mass
- 222.23 g/mol
- Monoisotopic mass
- 222.10675069
Names & identifiers
- Preferred name
- Octanoic acid, 2,2-difluoro-3-oxo-, ethyl ester
- IUPAC
- ethyl 2,2-difluoro-3-oxooctanoate
Names & synonyms
Octanoic acid, 2,2-difluoro-3-oxo-, ethyl esterETHYL 2,2-DIFLUORO-3-OXOOCTANOATE118460-49-4DTXSID30455443PNIQWEWMZJOWIO-UHFFFAOYSA-N
Database identifiers
- CAS
118460-49-4- PubChem CID
- 11106940
- DTXSID
DTXSID30455443- Nikkaji
- J789.474K
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 227
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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