5-ethyl-5-(5-fluoro-2-pyridinyl)oxolan-2-one

C11H12FNO2 — CID 103439878

IUPAC5-ethyl-5-(5-fluoro-2-pyridinyl)oxolan-2-one
SMILESCCC1(c2ccc(F)cn2)CCC(=O)O1
InChIInChI=1S/C11H12FNO2/c1-2-11(6-5-10(14)15-11)9-4-3-8(12)7-13-9/h3-4,7H,2,5-6H2,1H3
InChIKeyUMDXCDILCCLYKD-UHFFFAOYSA-N
MW209.22 g/mol
LogP2.16
Rot. Bonds2

About 5-ethyl-5-(5-fluoro-2-pyridinyl)oxolan-2-one

5-ethyl-5-(5-fluoro-2-pyridinyl)oxolan-2-one (PubChem CID 103439878) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 5-ethyl-5-(5-fluoro-2-pyridinyl)oxolan-2-one.

Molecular Properties

Compound Name5-ethyl-5-(5-fluoro-2-pyridinyl)oxolan-2-one
PubChem CID103439878
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name5-ethyl-5-(5-fluoro-2-pyridinyl)oxolan-2-one
SMILESCCC1(c2ccc(F)cn2)CCC(=O)O1
InChIInChI=1S/C11H12FNO2/c1-2-11(6-5-10(14)15-11)9-4-3-8(12)7-13-9/h3-4,7H,2,5-6H2,1H3
InChIKeyUMDXCDILCCLYKD-UHFFFAOYSA-N
XLogP2.16
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-(5-fluoro-2-pyridinyl)oxolan-2-one?
The IUPAC name of 5-ethyl-5-(5-fluoro-2-pyridinyl)oxolan-2-one (CID 103439878) is 5-ethyl-5-(5-fluoro-2-pyridinyl)oxolan-2-one.
What is the SMILES notation for 5-ethyl-5-(5-fluoro-2-pyridinyl)oxolan-2-one?
The canonical SMILES for 5-ethyl-5-(5-fluoro-2-pyridinyl)oxolan-2-one is CCC1(c2ccc(F)cn2)CCC(=O)O1.
What is the InChIKey of 5-ethyl-5-(5-fluoro-2-pyridinyl)oxolan-2-one?
The InChIKey is UMDXCDILCCLYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-2-11(6-5-10(14)15-11)9-4-3-8(12)7-13-9/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 5-ethyl-5-(5-fluoro-2-pyridinyl)oxolan-2-one?
5-ethyl-5-(5-fluoro-2-pyridinyl)oxolan-2-one has a molecular weight of 209.22 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-(5-fluoro-2-pyridinyl)oxolan-2-one is sourced from PubChem (CID 103439878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).