Basic information
- Standard SMILES
CCOC(=O)CC(O)(C#N)C(F)(F)C(F)(F)F- InChIKey
ACPXQDMYYDCYMN-UHFFFAOYSA-N- Molecular formula
- C8H8F5NO3
- Average molar mass
- 261.15 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-cyano-4,4,5,5,5-pentafluoro-3-hydroxypentanoate
- IUPAC
- ethyl 3-cyano-4,4,5,5,5-pentafluoro-3-hydroxypentanoate
Names & synonyms
Ethyl 3-cyano-4,4,5,5,5-pentafluoro-3-hydroxypentanoateSCHEMBL3079497
Database identifiers
- PubChem CID
- 86646544
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 70.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 345
Related reactions
2 records
Compound notes
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