1-(4-Fluoro-3-cyanophenyl)-3-trifluoromethyl-5-bromomethylpyrazole

HCID 22280795

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

Related reactions

20 records

Compound notes

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