Basic information
- Standard SMILES
Cn1nccc1CCOc1ccc(C(F)(F)F)cc1- InChIKey
PEOQFAJOHUCLFV-UHFFFAOYSA-N- Molecular formula
- C13H13F3N2O
- Average molar mass
- 270.25 g/mol
- Monoisotopic mass
- 270.09799753
Names & identifiers
- Preferred name
- 1-Methyl-5-{2-[4-(trifluoromethyl)phenoxy]ethyl}-1H-pyrazole
- IUPAC
- 1-methyl-5-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrazole
Names & synonyms
1-Methyl-5-{2-[4-(trifluoromethyl)phenoxy]ethyl}-1H-pyrazoleSCHEMBL14938112
Database identifiers
- PubChem CID
- 89558703
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 27.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 278
Related reactions
1 records
Compound notes
Loading…