2-Fluoro-5-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzonitrile

HCID 22280779

Basic information

CAS
209960-55-4
Standard SMILES
Cc1cc(C(F)(F)F)nn1-c1ccc(F)c(C#N)c1
InChIKey
JUIQEYIHLKCGEW-UHFFFAOYSA-N
Molecular formula
C12H7F4N3
Average molar mass
269.2 g/mol
Monoisotopic mass
269.0576101

Names & identifiers

Preferred name
2-Fluoro-5-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzonitrile
IUPAC
2-fluoro-5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]benzonitrile

Names & synonyms

209960-55-42-Fluoro-5-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzonitrileSCHEMBL3833223DTXSID606242811-(4-fluoro-3-cyanophenyl)-3-trifluoromethyl-5-methylpyrazole1-(3-cyano-4-fluoro-phenyl)-3-trifluoromethyl-5-methylpyrazole1-(3-cyano-4-fluorophenyl)-3-trifluoromethyl-5-methyl pyrazole

Database identifiers

CAS
209960-55-4
PubChem CID
22280779
DTXSID
DTXSID60624281

Properties

Computed structural properties

XLogP
3
Topological polar surface area
41.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
1
Heavy atoms
19

Related reactions

16 records

Compound notes

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