Diethyl 2-methyl-3,4,6-trifluorobenzoylmalonate

HCID 17879412
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Basic information

Standard SMILES
CCOC(=O)C(C(=O)OCC)C(=O)c1c(F)cc(F)c(F)c1C
InChIKey
SQHCDYRQORBXJX-UHFFFAOYSA-N
Molecular formula
C15H15F3O5
Average molar mass
332.27 g/mol

Names & identifiers

Preferred name
Diethyl 2-methyl-3,4,6-trifluorobenzoylmalonate
IUPAC
diethyl 2-(3,4,6-trifluoro-2-methylbenzoyl)propanedioate

Names & synonyms

SCHEMBL5501281SQHCDYRQORBXJX-UHFFFAOYSA-Ndiethyl 2-methyl-3,4,6-trifluorobenzoylmalonate

Database identifiers

PubChem CID
17879412

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
69.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
8
Heavy atoms
23

Related reactions

10 records
New reaction record

Linked notes

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