[2-(oxan-2-yloxy)-2-oxoethyl] 2-fluoro-2-methylbutanoate

C12H19FO5 — CID 90141099

IUPAC[2-(oxan-2-yloxy)-2-oxoethyl] 2-fluoro-2-methylbutanoate
SMILESCCC(C)(F)C(=O)OCC(=O)OC1CCCCO1
InChIInChI=1S/C12H19FO5/c1-3-12(2,13)11(15)17-8-9(14)18-10-6-4-5-7-16-10/h10H,3-8H2,1-2H3
InChIKeyXIQHOSZJCIXWEB-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.74
Rot. Bonds5

About [2-(oxan-2-yloxy)-2-oxoethyl] 2-fluoro-2-methylbutanoate

[2-(oxan-2-yloxy)-2-oxoethyl] 2-fluoro-2-methylbutanoate (PubChem CID 90141099) has the molecular formula C12H19FO5 and a molecular weight of 262.28 g/mol. Its IUPAC name is [2-(oxan-2-yloxy)-2-oxoethyl] 2-fluoro-2-methylbutanoate.

Molecular Properties

Compound Name[2-(oxan-2-yloxy)-2-oxoethyl] 2-fluoro-2-methylbutanoate
PubChem CID90141099
Molecular FormulaC12H19FO5
Molecular Weight262.28 g/mol
Exact Mass262.12
IUPAC Name[2-(oxan-2-yloxy)-2-oxoethyl] 2-fluoro-2-methylbutanoate
SMILESCCC(C)(F)C(=O)OCC(=O)OC1CCCCO1
InChIInChI=1S/C12H19FO5/c1-3-12(2,13)11(15)17-8-9(14)18-10-6-4-5-7-16-10/h10H,3-8H2,1-2H3
InChIKeyXIQHOSZJCIXWEB-UHFFFAOYSA-N
XLogP1.74
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(oxan-2-yloxy)-2-oxoethyl] 2-fluoro-2-methylbutanoate?
The IUPAC name of [2-(oxan-2-yloxy)-2-oxoethyl] 2-fluoro-2-methylbutanoate (CID 90141099) is [2-(oxan-2-yloxy)-2-oxoethyl] 2-fluoro-2-methylbutanoate.
What is the SMILES notation for [2-(oxan-2-yloxy)-2-oxoethyl] 2-fluoro-2-methylbutanoate?
The canonical SMILES for [2-(oxan-2-yloxy)-2-oxoethyl] 2-fluoro-2-methylbutanoate is CCC(C)(F)C(=O)OCC(=O)OC1CCCCO1.
What is the InChIKey of [2-(oxan-2-yloxy)-2-oxoethyl] 2-fluoro-2-methylbutanoate?
The InChIKey is XIQHOSZJCIXWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FO5/c1-3-12(2,13)11(15)17-8-9(14)18-10-6-4-5-7-16-10/h10H,3-8H2,1-2H3.
What are the key properties of [2-(oxan-2-yloxy)-2-oxoethyl] 2-fluoro-2-methylbutanoate?
[2-(oxan-2-yloxy)-2-oxoethyl] 2-fluoro-2-methylbutanoate has a molecular weight of 262.28 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxan-2-yloxy)-2-oxoethyl] 2-fluoro-2-methylbutanoate is sourced from PubChem (CID 90141099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).