Basic information
- Standard SMILES
Cc1cc(Cn2cc(C(F)(F)F)c(C(F)(F)C(F)(F)F)n2)ccc1[N+](=O)[O-]- InChIKey
DVAJTZYUHCVUTC-UHFFFAOYSA-N- Molecular formula
- C14H9F8N3O2
- Average molar mass
- 403.23 g/mol
Names & identifiers
- Preferred name
- 1-(3-methyl-4-nitro-benzyl)-3-pentafluoroethyl-4-trifluoromethyl-1H-pyrazole
- IUPAC
- 1-[(3-methyl-4-nitrophenyl)methyl]-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole
Names & synonyms
1-(3-methyl-4-nitro-benzyl)-3-pentafluoroethyl-4-trifluoromethyl-1H-pyrazoleSCHEMBL2884044
Database identifiers
- PubChem CID
- 86617138
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 548
Related reactions
2 records
Compound notes
Loading…