Basic information
- CAS
86317-59-1- Standard SMILES
CCC(=O)CCC(C(=O)OC)(C(=O)OC)C(F)(F)F- InChIKey
FQEAZLXGRIEFAE-UHFFFAOYSA-N- Molecular formula
- C11H15F3O5
- Average molar mass
- 284.23 g/mol
- Monoisotopic mass
- 284.08715806
Names & identifiers
- Preferred name
- Dimethyl (3-oxopentyl)(trifluoromethyl)propanedioate
- IUPAC
- dimethyl 2-(3-oxopentyl)-2-(trifluoromethyl)propanedioate
Names & synonyms
86317-59-1Dimethyl (3-oxopentyl)(trifluoromethyl)propanedioateSCHEMBL28000326DTXSID50513998
Database identifiers
- CAS
86317-59-1- PubChem CID
- 12958005
- DTXSID
DTXSID50513998
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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