Basic information
- Standard SMILES
Nc1c(C(F)(F)F)cc([N+](=O)[O-])cc1C(F)(F)F- InChIKey
RZMLCRWDGFATCO-UHFFFAOYSA-N- Molecular formula
- C8H4F6N2O2
- Average molar mass
- 274.12 g/mol
- Monoisotopic mass
- 274.01769635
Names & identifiers
- Preferred name
- 2,6-Bis(trifluoromethyl)-4-nitroaniline
- IUPAC
- 4-nitro-2,6-bis(trifluoromethyl)aniline
Names & synonyms
2,6-Bis(trifluoromethyl)-4-nitroaniline320-20-7MFCD220531464-Nitro-2,6-bis(trifluoromethyl)anilineSCHEMBL116777534-nitro-2,6-bis-trifluoromethylaniline2,6-Bis(trifluoromethyl)-4-nitroaniline, 98%
Database identifiers
- PubChem CID
- 21395879
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 299
Related reactions
3 records
Compound notes
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