4-(4-Trifluoromethyl-phenyl)-3-(1,1-dimethyl-propylamino)-cyclobut-3-ene-1,2-dione

HCID 9839710

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

Related reactions

3 records

Compound notes

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