Basic information
- Standard SMILES
CCCC(O)C(F)(F)C(=O)OCC- InChIKey
NUOZKBCLQMTSRN-UHFFFAOYSA-N- Molecular formula
- C8H14F2O3
- Average molar mass
- 196.19 g/mol
Names & identifiers
- Preferred name
- Ethyl 2,2-difluoro-3-hydroxyhexanoate
- IUPAC
- ethyl 2,2-difluoro-3-hydroxyhexanoate
Names & synonyms
ethyl 2,2-difluoro-3-hydroxyhexanoate156544-72-8MFCD16749399SCHEMBL12482713C8H14F2O3ethyl2,2-difluoro-3-hydroxyhexanoateAKOS011685095ethyl 2,2-difluoro-3-hydroxy-hexanoateN13111
Database identifiers
- PubChem CID
- 15313761
- Nikkaji
- J820.758E
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 171
Related reactions
2 records
Compound notes
Loading…