Basic information
- Standard SMILES
O=C(O)CC(F)(F)C(=O)NCc1ccccc1- InChIKey
SOQHLXBYJHANMS-UHFFFAOYSA-N- Molecular formula
- C11H11F2NO3
- Average molar mass
- 243.21 g/mol
Names & identifiers
- Preferred name
- 4-(Benzylamino)-3,3-difluoro-4-oxobutanoic acid
- IUPAC
- 4-(benzylamino)-3,3-difluoro-4-oxobutanoic acid
Names & synonyms
4-(benzylamino)-3,3-difluoro-4-oxobutanoic acid862416-30-6MFCD09033651SCHEMBL16714711AKOS015967689SY350406G86475
Database identifiers
- PubChem CID
- 11736655
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 288
Related reactions
2 records
Compound notes
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