Basic information
- Standard SMILES
N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)cc1C(=O)C(F)(F)F- InChIKey
QLLWUQFHBKKOSR-UHFFFAOYSA-N- Molecular formula
- C13H3Cl2F6N3O
- Average molar mass
- 402.08 g/mol
- Monoisotopic mass
- 400.9557361
Names & identifiers
- Preferred name
- 3-Cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-trifluoroacetylpyrazole
- IUPAC
- 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(2,2,2-trifluoroacetyl)pyrazole-3-carbonitrile
Names & synonyms
3-Cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-trifluoroacetylpyrazoleSCHEMBL69758973-Cyano-1-(2,6-dichloro-4-trifluoromethyiphenyl)-4-trifluoroacetylpyrazole
Database identifiers
- PubChem CID
- 18699461
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 562
Related reactions
7 records
Compound notes
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