Basic information
- Standard SMILES
COC(=O)C(F)(F)C(F)(F)C#N- InChIKey
KHYBIWCXJWMLBP-UHFFFAOYSA-N- Molecular formula
- C5H3F4NO2
- Average molar mass
- 185.08 g/mol
- Monoisotopic mass
- 185.00999099
Names & identifiers
- Preferred name
- Methyl 3-cyano-2,2,3,3-tetrafluoropropionate
- IUPAC
- methyl 3-cyano-2,2,3,3-tetrafluoropropanoate
Names & synonyms
methyl 3-cyano-2,2,3,3-tetrafluoropropionateSCHEMBL10496098methyl 3-cyanotetrafluoropropionate
Database identifiers
- PubChem CID
- 13328902
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 241
Related reactions
5 records
Compound notes
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