Basic information
- Standard SMILES
N#CCc1cc(-c2ccc(OC(F)(F)F)cc2)nn1CC(F)(F)F- InChIKey
WSBFUPCRZBLXLS-UHFFFAOYSA-N- Molecular formula
- C14H9F6N3O
- Average molar mass
- 349.23 g/mol
Names & identifiers
- Preferred name
- [2-(2,2,2-trifluoro-ethyl)-5-(4-trifluoromethoxy-phenyl)-2H-pyrazol-3-yl]-acetonitrile
- IUPAC
- 2-[1-(2,2,2-trifluoroethyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]acetonitrile
Names & synonyms
[2-(2,2,2-trifluoro-ethyl)-5-(4-trifluoromethoxy-phenyl)-2H-pyrazol-3-yl]-acetonitrileSCHEMBL2424700
Database identifiers
- PubChem CID
- 86600633
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 463
Related reactions
4 records
Compound notes
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