5-fluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridin-2-one

C11H16FNO2 — CID 99831372

IUPAC5-fluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridin-2-one
SMILESCC(C)(C)OCCn1cc(F)ccc1=O
InChIInChI=1S/C11H16FNO2/c1-11(2,3)15-7-6-13-8-9(12)4-5-10(13)14/h4-5,8H,6-7H2,1-3H3
InChIKeyRYYNNPAHVVGNIP-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.80
Rot. Bonds3

About 5-fluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridin-2-one

5-fluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridin-2-one (PubChem CID 99831372) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 5-fluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridin-2-one
PubChem CID99831372
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name5-fluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridin-2-one
SMILESCC(C)(C)OCCn1cc(F)ccc1=O
InChIInChI=1S/C11H16FNO2/c1-11(2,3)15-7-6-13-8-9(12)4-5-10(13)14/h4-5,8H,6-7H2,1-3H3
InChIKeyRYYNNPAHVVGNIP-UHFFFAOYSA-N
XLogP1.80
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridin-2-one?
The IUPAC name of 5-fluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridin-2-one (CID 99831372) is 5-fluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridin-2-one.
What is the SMILES notation for 5-fluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridin-2-one?
The canonical SMILES for 5-fluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridin-2-one is CC(C)(C)OCCn1cc(F)ccc1=O.
What is the InChIKey of 5-fluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridin-2-one?
The InChIKey is RYYNNPAHVVGNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-11(2,3)15-7-6-13-8-9(12)4-5-10(13)14/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 5-fluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridin-2-one?
5-fluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridin-2-one has a molecular weight of 213.25 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridin-2-one is sourced from PubChem (CID 99831372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).