Basic information
- Standard SMILES
Cc1ccc(NCc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc1C(=O)O- InChIKey
DVQXNGICQNYLDS-UHFFFAOYSA-N- Molecular formula
- C16H10F7NO2
- Average molar mass
- 381.24 g/mol
- Monoisotopic mass
- 381.0599757
Names & identifiers
- Preferred name
- 2-Methyl-5-(2,3,5,6-tetrafluoro-4-trifluoromethylbenzylamino)benzoic acid
- IUPAC
- 2-methyl-5-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]methylamino]benzoic acid
Names & synonyms
2-methyl-5-(2,3,5,6-tetrafluoro-4-trifluoromethylbenzylamino)benzoic acidSCHEMBL581497
Database identifiers
- PubChem CID
- 10339787
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 487
Related reactions
6 records
Compound notes
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