Basic information
- Standard SMILES
Cc1cc(Cn2cccc2C(=O)C(F)(F)F)ccc1[N+](=O)[O-]- InChIKey
ZWZFEWJGVPNJAR-UHFFFAOYSA-N- Molecular formula
- C14H11F3N2O3
- Average molar mass
- 312.24 g/mol
- Monoisotopic mass
- 312.0721767
Names & identifiers
- Preferred name
- 1-(3-methyl-4-nitrobenzyl)-2-(trifluoroacetyl)-1H-pyrrole
- IUPAC
- 2,2,2-trifluoro-1-[1-[(3-methyl-4-nitrophenyl)methyl]pyrrol-2-yl]ethanone
Names & synonyms
1-(3-methyl-4-nitrobenzyl)-2-(trifluoroacetyl)-1H-pyrroleSCHEMBL28843171-(3-methyl-4-nitrobenzyl)-2-(trifluoroacetyl)-1h pyrrole
Database identifiers
- PubChem CID
- 59210403
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 436
Related reactions
2 records
Compound notes
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