Basic information
- Standard SMILES
COC(=O)C(O)(c1c(C(F)(F)F)[nH]n(-c2ccccc2)c1=O)C(F)(F)F- InChIKey
VKKRETJTZQCVRF-UHFFFAOYSA-N- Molecular formula
- C14H10F6N2O4
- Average molar mass
- 384.23 g/mol
Names & identifiers
- Preferred name
- alpha-hydroxy-2,5-dihydro-5-oxo-1-phenyl-alpha-trifluoromethyl-3-trifluoromethyl-1H-pyrazole-4-acetic acid methyl ester
- IUPAC
- methyl 3,3,3-trifluoro-2-hydroxy-2-[3-oxo-2-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]propanoate
Names & synonyms
alpha-hydroxy-2,5-dihydro-5-oxo-1-phenyl-alpha-trifluoromethyl-3-trifluoromethyl-1H-pyrazole-4-acetic acid methyl esterSCHEMBL486230
Database identifiers
- PubChem CID
- 86639740
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 624
Related reactions
3 records
Compound notes
Loading…