Basic information
- CAS
1226890-62-5- Standard SMILES
Cn1ccc(C(F)(F)C(F)(F)F)n1- InChIKey
AYNSOAIZGKMMHU-UHFFFAOYSA-N- Molecular formula
- C6H5F5N2
- Average molar mass
- 200.11 g/mol
- Monoisotopic mass
- 200.03728926
Names & identifiers
- Preferred name
- 1-methyl-3-pentafluoroethyl-1H-pyrazole
- IUPAC
- 1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole
Names & synonyms
1-methyl-3-pentafluoroethyl-1H-pyrazoleSCHEMBL2354268SCHEMBL6021380DTXSID8012217661226890-62-51-Methyl-3-(pentafluoroethyl)-1H-pyrazole1-Methyl-3-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole
Database identifiers
- CAS
1226890-62-5- PubChem CID
- 22972273
- DTXSID
DTXSID801221766
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 190
Related reactions
4 records
Compound notes
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