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
- Formal charge
- 0
- Complexity
- 375
Related reactions
16 records
Compound notes
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