Basic information
- Standard SMILES
COCCCC(F)(F)C=O.O- InChIKey
ZDLDZSCLEAWHRJ-UHFFFAOYSA-N- Molecular formula
- C6H12F2O3
- Average molar mass
- 170.15 g/mol
Names & identifiers
- Preferred name
- 2,2-Difluoro-5-methoxy-1-pentanal hydrate
- IUPAC
- 2,2-difluoro-5-methoxypentanal;hydrate
Names & synonyms
2,2-difluoro-5-methoxy-1-pentanal hydrateSCHEMBL10658347
Database identifiers
- PubChem CID
- 20149453
Properties
Computed structural properties
- Topological polar surface area
- 27.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 104
Related reactions
2 records
Compound notes
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