1-(3-oxopentyl)-3-(trifluoromethyl)pyridin-2-one

C11H12F3NO2 — CID 58326652

IUPAC1-(3-oxopentyl)-3-(trifluoromethyl)pyridin-2-one
SMILESCCC(=O)CCn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C11H12F3NO2/c1-2-8(16)5-7-15-6-3-4-9(10(15)17)11(12,13)14/h3-4,6H,2,5,7H2,1H3
InChIKeyMZGXLDPOWRETGP-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.24
Rot. Bonds4

About 1-(3-oxopentyl)-3-(trifluoromethyl)pyridin-2-one

1-(3-oxopentyl)-3-(trifluoromethyl)pyridin-2-one (PubChem CID 58326652) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 1-(3-oxopentyl)-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(3-oxopentyl)-3-(trifluoromethyl)pyridin-2-one
PubChem CID58326652
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name1-(3-oxopentyl)-3-(trifluoromethyl)pyridin-2-one
SMILESCCC(=O)CCn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C11H12F3NO2/c1-2-8(16)5-7-15-6-3-4-9(10(15)17)11(12,13)14/h3-4,6H,2,5,7H2,1H3
InChIKeyMZGXLDPOWRETGP-UHFFFAOYSA-N
XLogP2.24
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-oxopentyl)-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(3-oxopentyl)-3-(trifluoromethyl)pyridin-2-one (CID 58326652) is 1-(3-oxopentyl)-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(3-oxopentyl)-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(3-oxopentyl)-3-(trifluoromethyl)pyridin-2-one is CCC(=O)CCn1cccc(C(F)(F)F)c1=O.
What is the InChIKey of 1-(3-oxopentyl)-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is MZGXLDPOWRETGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-2-8(16)5-7-15-6-3-4-9(10(15)17)11(12,13)14/h3-4,6H,2,5,7H2,1H3.
What are the key properties of 1-(3-oxopentyl)-3-(trifluoromethyl)pyridin-2-one?
1-(3-oxopentyl)-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 247.22 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-oxopentyl)-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 58326652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).