Basic information
- Standard SMILES
NC(C[N+](=O)[O-])c1cccc(C(F)(F)F)c1- InChIKey
ZGBVAEFBTJSNLX-UHFFFAOYSA-N- Molecular formula
- C9H9F3N2O2
- Average molar mass
- 234.17 g/mol
- Monoisotopic mass
- 234.06161202
Names & identifiers
- Preferred name
- 2-Nitro-1-[3-(trifluoromethyl)phenyl]ethanamine
- IUPAC
- 2-nitro-1-[3-(trifluoromethyl)phenyl]ethanamine
Names & synonyms
SCHEMBL10216717ZGBVAEFBTJSNLX-UHFFFAOYSA-N2-nitro-1-[3-(trifluoromethyl)phenyl]ethanamine
Database identifiers
- PubChem CID
- 59536828
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 252
Related reactions
1 records
Compound notes
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