Basic information
- Standard SMILES
CC(F)(F)CCCCn1ccc([N+](=O)[O-])n1- InChIKey
REOZKOWXTKURHD-UHFFFAOYSA-N- Molecular formula
- C9H13F2N3O2
- Average molar mass
- 233.22 g/mol
- Monoisotopic mass
- 233.09758299
Names & identifiers
- Preferred name
- 1-(5,5-difluoro-hexyl)-3-nitro-1H-pyrazole
- IUPAC
- 1-(5,5-difluorohexyl)-3-nitropyrazole
Names & synonyms
1-(5,5-difluoro-hexyl)-3-nitro-1H-pyrazoleSCHEMBL1167119
Database identifiers
- PubChem CID
- 66929022
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 245
Related reactions
2 records
Compound notes
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