5-(4-Fluorobenzyl)-2,2-dimethyl-1,3-dioxane-4,6-dione

HCID 86096352

Basic information

Standard SMILES
CC1(C)OC(=O)C(Cc2ccc(F)cc2)C(=O)O1
InChIKey
IZYWFUACSYOCGG-UHFFFAOYSA-N
Molecular formula
C13H13FO4
Average molar mass
252.24 g/mol

Names & identifiers

Preferred name
5-(4-Fluorobenzyl)-2,2-dimethyl-1,3-dioxane-4,6-dione
IUPAC
5-[(4-fluorophenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione

Names & synonyms

5-(4-Fluorobenzyl)-2,2-dimethyl-1,3-dioxane-4,6-dione876405-68-45-[(4-FLUOROPHENYL)METHYL]-2,2-DIMETHYL-1,3-DIOXANE-4,6-DIONEMFCD098414281,3-Dioxane-4,6-dione, 5-[(4-fluorophenyl)methyl]-2,2-dimethyl-SCHEMBL16460894IZYWFUACSYOCGG-UHFFFAOYSA-NALBB-028860AKOS025141884LS-10026DB-413097H44259

Database identifiers

PubChem CID
86096352
Nikkaji
J2.267.709H

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
18

Related reactions

6 records

Compound notes

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5-(4-Fluorobenzyl)-2,2-dimethyl-1,3-dioxane-4,6-dione (HCID 86096352)|Huagongshe