6-butan-2-yl-3-(2-fluoroethyl)-1H-pyridin-2-one

C11H16FNO — CID 176560704

IUPAC6-butan-2-yl-3-(2-fluoroethyl)-1H-pyridin-2-one
SMILESCCC(C)c1ccc(CCF)c(=O)[nH]1
InChIInChI=1S/C11H16FNO/c1-3-8(2)10-5-4-9(6-7-12)11(14)13-10/h4-5,8H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyZJWKOAZZPYOTCV-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.40
Rot. Bonds4

About 6-butan-2-yl-3-(2-fluoroethyl)-1H-pyridin-2-one

6-butan-2-yl-3-(2-fluoroethyl)-1H-pyridin-2-one (PubChem CID 176560704) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 6-butan-2-yl-3-(2-fluoroethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-butan-2-yl-3-(2-fluoroethyl)-1H-pyridin-2-one
PubChem CID176560704
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name6-butan-2-yl-3-(2-fluoroethyl)-1H-pyridin-2-one
SMILESCCC(C)c1ccc(CCF)c(=O)[nH]1
InChIInChI=1S/C11H16FNO/c1-3-8(2)10-5-4-9(6-7-12)11(14)13-10/h4-5,8H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyZJWKOAZZPYOTCV-UHFFFAOYSA-N
XLogP2.40
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-3-(2-fluoroethyl)-1H-pyridin-2-one?
The IUPAC name of 6-butan-2-yl-3-(2-fluoroethyl)-1H-pyridin-2-one (CID 176560704) is 6-butan-2-yl-3-(2-fluoroethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-butan-2-yl-3-(2-fluoroethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-butan-2-yl-3-(2-fluoroethyl)-1H-pyridin-2-one is CCC(C)c1ccc(CCF)c(=O)[nH]1.
What is the InChIKey of 6-butan-2-yl-3-(2-fluoroethyl)-1H-pyridin-2-one?
The InChIKey is ZJWKOAZZPYOTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-3-8(2)10-5-4-9(6-7-12)11(14)13-10/h4-5,8H,3,6-7H2,1-2H3,(H,13,14).
What are the key properties of 6-butan-2-yl-3-(2-fluoroethyl)-1H-pyridin-2-one?
6-butan-2-yl-3-(2-fluoroethyl)-1H-pyridin-2-one has a molecular weight of 197.25 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-3-(2-fluoroethyl)-1H-pyridin-2-one is sourced from PubChem (CID 176560704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).