2-[Hydroxy-(2,3,6-trifluoro-phenyl)-methyl]-malonic Acid Dimethyl Ester

HCID 58950607
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Basic information

Standard SMILES
COC(=O)C(C(=O)OC)C(O)c1c(F)ccc(F)c1F
InChIKey
WQLMLOSMJUFFDG-UHFFFAOYSA-N
Molecular formula
C12H11F3O5
Average molar mass
292.21 g/mol
Monoisotopic mass
292.05585793

Names & identifiers

Preferred name
2-[Hydroxy-(2,3,6-trifluoro-phenyl)-methyl]-malonic Acid Dimethyl Ester
IUPAC
dimethyl 2-[hydroxy-(2,3,6-trifluorophenyl)methyl]propanedioate

Names & synonyms

SCHEMBL1364323WQLMLOSMJUFFDG-UHFFFAOYSA-N2-[Hydroxy-(2,3,6-trifluoro-phenyl)-methyl]-malonic Acid Dimethyl Ester

Database identifiers

PubChem CID
58950607

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
72.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
6
Heavy atoms
20

Related reactions

6 records
New reaction record

Compound notes

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