2-(2-Nitro-4-trifluoromethylphenoxy)-4-(1,1-dimethylpropyl)benzene
Basic information
- Standard SMILES
CCC(C)(C)c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1- InChIKey
JJOLQQNSXYJWCM-UHFFFAOYSA-N- Molecular formula
- C18H18F3NO3
- Average molar mass
- 353.3 g/mol
Names & identifiers
- Preferred name
- 2-(2-Nitro-4-trifluoromethylphenoxy)-4-(1,1-dimethylpropyl)benzene
- IUPAC
- 1-[3-(2-methylbutan-2-yl)phenoxy]-2-nitro-4-(trifluoromethyl)benzene
Names & synonyms
2-(2-nitro-4-trifluoromethylphenoxy)-4-(1,1-dimethylpropyl)benzeneSCHEMBL8435213
Database identifiers
- PubChem CID
- 53958905
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 461
Related reactions
2 records
Compound notes
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