Basic information
- Standard SMILES
Cc1cc(N(CC(F)(F)F)CC(F)(F)F)ccc1[N+](=O)[O-]- InChIKey
CRQCWNPBQAVYNQ-UHFFFAOYSA-N- Molecular formula
- C11H10F6N2O2
- Average molar mass
- 316.2 g/mol
Names & identifiers
- Preferred name
- n,n-Bis(2,2,2-trifluoroethyl)-3-methyl-4-nitroaniline
- IUPAC
- 3-methyl-4-nitro-N,N-bis(2,2,2-trifluoroethyl)aniline
Names & synonyms
n,n-bis(2,2,2-trifluoroethyl)-3-methyl-4-nitroanilineSCHEMBL5652170
Database identifiers
- PubChem CID
- 11243980
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 349
Related reactions
3 records
Compound notes
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