3-(2-Amino-2-cyano-2-methyl-ethoxy)-4-(2-chloro-4-trifluoromethoxy-phenoxy)-benzonitrile
Basic information
- Standard SMILES
CC(N)(C#N)COc1cc(C#N)ccc1Oc1ccc(OC(F)(F)F)cc1Cl- InChIKey
LGUCQPSTRHWCCK-UHFFFAOYSA-N- Molecular formula
- C18H13ClF3N3O3
- Average molar mass
- 411.8 g/mol
- Monoisotopic mass
- 411.0597535
Names & identifiers
- Preferred name
- 3-(2-Amino-2-cyano-2-methyl-ethoxy)-4-(2-chloro-4-trifluoromethoxy-phenoxy)-benzonitrile
- IUPAC
- 3-(2-amino-2-cyanopropoxy)-4-[2-chloro-4-(trifluoromethoxy)phenoxy]benzonitrile
Names & synonyms
3-(2-amino-2-cyano-2-methyl-ethoxy)-4-(2-chloro-4-trifluoromethoxy-phenoxy)-benzonitrileSCHEMBL2399580
Database identifiers
- PubChem CID
- 67392575
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 632
Related reactions
1 records
Compound notes
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