Basic information
- Standard SMILES
Cn1nc(C(F)(F)C(F)(F)F)cc1C(=O)O- InChIKey
OLNALFQUCNMHHQ-UHFFFAOYSA-N- Molecular formula
- C7H5F5N2O2
- Average molar mass
- 244.12 g/mol
- Monoisotopic mass
- 244.02711822
Names & identifiers
- Preferred name
- 1-methyl-3-pentafluoroethyl-1H-pyrazole-5-carboxylic acid
- IUPAC
- 1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole-5-carboxylic acid
Names & synonyms
129768-38-31-methyl-3-pentafluoroethyl-1H-pyrazole-5-carboxylic acid1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole-5-carboxylic acidSCHEMBL2355530EN300-19471571-methyl-3-(pentafluoroethyl)-1H-pyrazole-5-carboxylic acid
Database identifiers
- PubChem CID
- 14836876
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 293
Related reactions
3 records
Compound notes
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