Basic information
- Standard SMILES
COC(=O)C(=Cc1c(F)ccc(F)c1F)C(=O)OC- InChIKey
LFVMHMDTTMWFEP-UHFFFAOYSA-N- Molecular formula
- C12H9F3O4
- Average molar mass
- 274.19 g/mol
Names & identifiers
- Preferred name
- 2-(2,3,6-Trifluoro-benzylidene)-malonic Acid Dimethyl Ester
- IUPAC
- dimethyl 2-[(2,3,6-trifluorophenyl)methylidene]propanedioate
Names & synonyms
2-(2,3,6-Trifluoro-benzylidene)-malonic Acid Dimethyl EsterSCHEMBL1364884LFVMHMDTTMWFEP-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 58445302
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 365
Related reactions
6 records
Compound notes
Loading…