diethyl 3-fluoro-2-hydroxy-2,5-dihydropyran-6,6-dicarboxylate

C11H15FO6 — CID 11832207

IUPACdiethyl 3-fluoro-2-hydroxy-2,5-dihydropyran-6,6-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CC=C(F)C(O)O1
InChIInChI=1S/C11H15FO6/c1-3-16-9(14)11(10(15)17-4-2)6-5-7(12)8(13)18-11/h5,8,13H,3-4,6H2,1-2H3
InChIKeyZVEMCYCUMXLCNS-UHFFFAOYSA-N
MW262.23 g/mol
LogP0.44
Rot. Bonds4

About diethyl 3-fluoro-2-hydroxy-2,5-dihydropyran-6,6-dicarboxylate

diethyl 3-fluoro-2-hydroxy-2,5-dihydropyran-6,6-dicarboxylate (PubChem CID 11832207) has the molecular formula C11H15FO6 and a molecular weight of 262.23 g/mol. Its IUPAC name is diethyl 3-fluoro-2-hydroxy-2,5-dihydropyran-6,6-dicarboxylate.

Molecular Properties

Compound Namediethyl 3-fluoro-2-hydroxy-2,5-dihydropyran-6,6-dicarboxylate
PubChem CID11832207
Molecular FormulaC11H15FO6
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Namediethyl 3-fluoro-2-hydroxy-2,5-dihydropyran-6,6-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CC=C(F)C(O)O1
InChIInChI=1S/C11H15FO6/c1-3-16-9(14)11(10(15)17-4-2)6-5-7(12)8(13)18-11/h5,8,13H,3-4,6H2,1-2H3
InChIKeyZVEMCYCUMXLCNS-UHFFFAOYSA-N
XLogP0.44
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl 3-fluoro-2-hydroxy-2,5-dihydropyran-6,6-dicarboxylate?
The IUPAC name of diethyl 3-fluoro-2-hydroxy-2,5-dihydropyran-6,6-dicarboxylate (CID 11832207) is diethyl 3-fluoro-2-hydroxy-2,5-dihydropyran-6,6-dicarboxylate.
What is the SMILES notation for diethyl 3-fluoro-2-hydroxy-2,5-dihydropyran-6,6-dicarboxylate?
The canonical SMILES for diethyl 3-fluoro-2-hydroxy-2,5-dihydropyran-6,6-dicarboxylate is CCOC(=O)C1(C(=O)OCC)CC=C(F)C(O)O1.
What is the InChIKey of diethyl 3-fluoro-2-hydroxy-2,5-dihydropyran-6,6-dicarboxylate?
The InChIKey is ZVEMCYCUMXLCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO6/c1-3-16-9(14)11(10(15)17-4-2)6-5-7(12)8(13)18-11/h5,8,13H,3-4,6H2,1-2H3.
What are the key properties of diethyl 3-fluoro-2-hydroxy-2,5-dihydropyran-6,6-dicarboxylate?
diethyl 3-fluoro-2-hydroxy-2,5-dihydropyran-6,6-dicarboxylate has a molecular weight of 262.23 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3-fluoro-2-hydroxy-2,5-dihydropyran-6,6-dicarboxylate is sourced from PubChem (CID 11832207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).