Basic information
- Standard SMILES
CC(C)C(Nc1ccc(C(F)(F)F)cc1F)C(=O)OC(C#N)c1cc(Oc2ccccc2)ccc1F- InChIKey
KOLFUZJNGMSMRL-UHFFFAOYSA-N- Molecular formula
- C26H21F5N2O3
- Average molar mass
- 504.4 g/mol
- Monoisotopic mass
- 504.14723335
Names & identifiers
- Preferred name
- alpha-Cyano-2-fluoro-5-phenoxybenzyl 2-(2-fluoro-4-trifluoromethylphenylamino)3-methylbutanoate
- IUPAC
- [cyano-(2-fluoro-5-phenoxyphenyl)methyl] 2-[2-fluoro-4-(trifluoromethyl)anilino]-3-methylbutanoate
Names & synonyms
alpha-cyano-2-fluoro-5-phenoxybenzyl 2-(2-fluoro-4-trifluoromethylphenylamino)3-methylbutanoateSCHEMBL11488676
Database identifiers
- PubChem CID
- 54005306
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 764
Related reactions
1 records
Compound notes
Loading…