1-(2-oxobutyl)-6-(trifluoromethyl)pyridin-2-one

C10H10F3NO2 — CID 81319664

IUPAC1-(2-oxobutyl)-6-(trifluoromethyl)pyridin-2-one
SMILESCCC(=O)Cn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C10H10F3NO2/c1-2-7(15)6-14-8(10(11,12)13)4-3-5-9(14)16/h3-5H,2,6H2,1H3
InChIKeyPGMXHSDBYWIPCJ-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.85
Rot. Bonds3

About 1-(2-oxobutyl)-6-(trifluoromethyl)pyridin-2-one

1-(2-oxobutyl)-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81319664) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is 1-(2-oxobutyl)-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(2-oxobutyl)-6-(trifluoromethyl)pyridin-2-one
PubChem CID81319664
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Name1-(2-oxobutyl)-6-(trifluoromethyl)pyridin-2-one
SMILESCCC(=O)Cn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C10H10F3NO2/c1-2-7(15)6-14-8(10(11,12)13)4-3-5-9(14)16/h3-5H,2,6H2,1H3
InChIKeyPGMXHSDBYWIPCJ-UHFFFAOYSA-N
XLogP1.85
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-oxobutyl)-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(2-oxobutyl)-6-(trifluoromethyl)pyridin-2-one (CID 81319664) is 1-(2-oxobutyl)-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(2-oxobutyl)-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(2-oxobutyl)-6-(trifluoromethyl)pyridin-2-one is CCC(=O)Cn1c(C(F)(F)F)cccc1=O.
What is the InChIKey of 1-(2-oxobutyl)-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is PGMXHSDBYWIPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-2-7(15)6-14-8(10(11,12)13)4-3-5-9(14)16/h3-5H,2,6H2,1H3.
What are the key properties of 1-(2-oxobutyl)-6-(trifluoromethyl)pyridin-2-one?
1-(2-oxobutyl)-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 233.19 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxobutyl)-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81319664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).