Basic information
- Standard SMILES
CCC(C)(C)Nc1c(-c2ccc(C(F)(F)F)cc2)c(=O)c1=O- InChIKey
OELBGCGWOXWXKP-UHFFFAOYSA-N- Molecular formula
- C16H16F3NO2
- Average molar mass
- 311.3 g/mol
- Monoisotopic mass
- 311.11331324
Names & identifiers
- Preferred name
- 4-(4-Trifluoromethyl-phenyl)-3-(1,1-dimethyl-propylamino)-cyclobut-3-ene-1,2-dione
- IUPAC
- 3-(2-methylbutan-2-ylamino)-4-[4-(trifluoromethyl)phenyl]cyclobut-3-ene-1,2-dione
Names & synonyms
4-(4-Trifluoromethyl-phenyl)-3-(1,1-dimethyl-propylamino)-cyclobut-3-ene-1,2-dioneSCHEMBL70053014-(4Trifluoromethyl-phenyl)-3-(1,1-dimethyl-propylamino)-cyclobut-3-ene-1,2-dione
Database identifiers
- PubChem CID
- 9839710
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 512
Related reactions
3 records
Compound notes
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