Basic information
- Standard SMILES
Cn1nc(C(F)(F)C(F)(F)F)c(C(F)(F)F)c1C#N- InChIKey
OZOWZLKSWCTNRI-UHFFFAOYSA-N- Molecular formula
- C8H3F8N3
- Average molar mass
- 293.12 g/mol
Names & identifiers
- Preferred name
- 1-Methyl-3-(perfluoroethyl)-4-(trifluoromethyl)-1H-pyrazole-5-carbonitrile
- IUPAC
- 2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-3-carbonitrile
Names & synonyms
1226890-60-31-METHYL-3-(PERFLUOROETHYL)-4-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBONITRILE1-methyl-3-(pentafluoroethyl)-4-(trifluoromethyl)-1H-pyrazole-5-carbonitrileMFCD30531089SCHEMBL2363285EN300-6479585-cyano-1-methyl-3-pentafluoroethyl-4-trifluoromethyl-1H-pyrazole1-Methyl-3-(perfluoroethyl)-4-(trifluoromethyl)-1H-pyrazole-5-carbonitrile, 95%2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-3-carbonitrile
Database identifiers
- PubChem CID
- 86660091
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 391
Related reactions
2 records
Compound notes
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