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
- Formal charge
- 0
- Complexity
- 325
Related reactions
6 records
Compound notes
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