Basic information
- Standard SMILES
O=C([O-])C(=CNc1cccc(C(F)(F)F)c1)C(=O)[O-]- InChIKey
VSRQNIXYIRJXDD-UHFFFAOYSA-L- Molecular formula
- C11H6F3NO4-2
- Average molar mass
- 273.16 g/mol
Names & identifiers
- Preferred name
- 2-{[3-(Trifluoromethyl)anilino]methylene}malonate
- IUPAC
- 2-[[3-(trifluoromethyl)anilino]methylidene]propanedioate
Names & synonyms
2-{[3-(trifluoromethyl)anilino]methylene}malonate
Database identifiers
- PubChem CID
- 22648308
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- -2
- Complexity
- 365
Related reactions
7 records
Compound notes
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