Butane-1,3-dione, 4,4,4-trifluoro-1-(4-imidazol-1-ylphenyl)-

HCID 6426099
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(CC(=O)C(F)(F)F)c1ccc(-n2ccnc2)cc1
InChIKey
TZLLJFRYOQASIZ-UHFFFAOYSA-N
Molecular formula
C13H9F3N2O2
Average molar mass
282.22 g/mol

Names & identifiers

Preferred name
Butane-1,3-dione, 4,4,4-trifluoro-1-(4-imidazol-1-ylphenyl)-
IUPAC
4,4,4-trifluoro-1-(4-imidazol-1-ylphenyl)butane-1,3-dione

Names & synonyms

Butane-1,3-dione, 4,4,4-trifluoro-1-(4-imidazol-1-ylphenyl)-SCHEMBL34310614,4,4-trifluoro-1-(4-imidazol-1-yl-phenyl)-butane-1,3-dione4,4,4-trifluoro-1-[4-(1-imidazolyl)phenyl]butane-1,3-dione

Database identifiers

PubChem CID
6426099
Nikkaji
J2.958.523G

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
52 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
20

Related reactions

5 records
New reaction record

Linked notes

Loading…