[2-oxo-2-(oxolan-2-yloxy)ethyl] 2-fluoro-2-methylbutanoate

C11H17FO5 — CID 90141098

IUPAC[2-oxo-2-(oxolan-2-yloxy)ethyl] 2-fluoro-2-methylbutanoate
SMILESCCC(C)(F)C(=O)OCC(=O)OC1CCCO1
InChIInChI=1S/C11H17FO5/c1-3-11(2,12)10(14)16-7-8(13)17-9-5-4-6-15-9/h9H,3-7H2,1-2H3
InChIKeyDNEQOHOJYPCUIY-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.35
Rot. Bonds5

About [2-oxo-2-(oxolan-2-yloxy)ethyl] 2-fluoro-2-methylbutanoate

[2-oxo-2-(oxolan-2-yloxy)ethyl] 2-fluoro-2-methylbutanoate (PubChem CID 90141098) has the molecular formula C11H17FO5 and a molecular weight of 248.25 g/mol. Its IUPAC name is [2-oxo-2-(oxolan-2-yloxy)ethyl] 2-fluoro-2-methylbutanoate.

Molecular Properties

Compound Name[2-oxo-2-(oxolan-2-yloxy)ethyl] 2-fluoro-2-methylbutanoate
PubChem CID90141098
Molecular FormulaC11H17FO5
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name[2-oxo-2-(oxolan-2-yloxy)ethyl] 2-fluoro-2-methylbutanoate
SMILESCCC(C)(F)C(=O)OCC(=O)OC1CCCO1
InChIInChI=1S/C11H17FO5/c1-3-11(2,12)10(14)16-7-8(13)17-9-5-4-6-15-9/h9H,3-7H2,1-2H3
InChIKeyDNEQOHOJYPCUIY-UHFFFAOYSA-N
XLogP1.35
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(oxolan-2-yloxy)ethyl] 2-fluoro-2-methylbutanoate?
The IUPAC name of [2-oxo-2-(oxolan-2-yloxy)ethyl] 2-fluoro-2-methylbutanoate (CID 90141098) is [2-oxo-2-(oxolan-2-yloxy)ethyl] 2-fluoro-2-methylbutanoate.
What is the SMILES notation for [2-oxo-2-(oxolan-2-yloxy)ethyl] 2-fluoro-2-methylbutanoate?
The canonical SMILES for [2-oxo-2-(oxolan-2-yloxy)ethyl] 2-fluoro-2-methylbutanoate is CCC(C)(F)C(=O)OCC(=O)OC1CCCO1.
What is the InChIKey of [2-oxo-2-(oxolan-2-yloxy)ethyl] 2-fluoro-2-methylbutanoate?
The InChIKey is DNEQOHOJYPCUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FO5/c1-3-11(2,12)10(14)16-7-8(13)17-9-5-4-6-15-9/h9H,3-7H2,1-2H3.
What are the key properties of [2-oxo-2-(oxolan-2-yloxy)ethyl] 2-fluoro-2-methylbutanoate?
[2-oxo-2-(oxolan-2-yloxy)ethyl] 2-fluoro-2-methylbutanoate has a molecular weight of 248.25 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(oxolan-2-yloxy)ethyl] 2-fluoro-2-methylbutanoate is sourced from PubChem (CID 90141098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).