Basic information
- Standard SMILES
N#Cc1cc(-n2nc(C(F)(F)F)cc2CBr)ccc1F- InChIKey
QUDVREBOXCYXHY-UHFFFAOYSA-N- Molecular formula
- C12H6BrF4N3
- Average molar mass
- 348.09 g/mol
Names & identifiers
- Preferred name
- 1-(4-Fluoro-3-cyanophenyl)-3-trifluoromethyl-5-bromomethylpyrazole
- IUPAC
- 5-[5-(bromomethyl)-3-(trifluoromethyl)pyrazol-1-yl]-2-fluorobenzonitrile
Names & synonyms
1-(4-fluoro-3-cyanophenyl)-3-trifluoromethyl-5-bromomethylpyrazoleSCHEMBL38311581-(3-cyano-4-fluoro-phenyl)-3-trifluoromethyl-5-bromomethylpyrazole1-(3-cyano-4-fluorophenyl)-3-trifluoromethyl-5-bromomethyl pyrazole
Database identifiers
- PubChem CID
- 22280795
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 394
Related reactions
20 records
Compound notes
Loading…