Dimethyl 2-[2-(2-fluorophenyl)ethyl]malonate

HCID 68704652
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)C(CCc1ccccc1F)C(=O)OC
InChIKey
IPRYKUMGULTAFY-UHFFFAOYSA-N
Molecular formula
C13H15FO4
Average molar mass
254.25 g/mol

Names & identifiers

Preferred name
Dimethyl 2-[2-(2-fluorophenyl)ethyl]malonate
IUPAC
dimethyl 2-[2-(2-fluorophenyl)ethyl]propanedioate

Names & synonyms

SCHEMBL3589962IPRYKUMGULTAFY-UHFFFAOYSA-Ndimethyl 2-[2-(2-fluorophenyl)ethyl]malonate

Database identifiers

PubChem CID
68704652

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
18

Related reactions

2 records
New reaction record

Linked notes

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