1,6-dimethyl-4-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridin-2-one

C12H15F3N2O2 — CID 121183938

IUPAC1,6-dimethyl-4-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridin-2-one
SMILESCc1cc(OC2CN(CC(F)(F)F)C2)cc(=O)n1C
InChIInChI=1S/C12H15F3N2O2/c1-8-3-9(4-11(18)16(8)2)19-10-5-17(6-10)7-12(13,14)15/h3-4,10H,5-7H2,1-2H3
InChIKeyDXVKRJLJLDWIFB-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.32
Rot. Bonds3

About 1,6-dimethyl-4-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridin-2-one

1,6-dimethyl-4-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridin-2-one (PubChem CID 121183938) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 1,6-dimethyl-4-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridin-2-one.

Molecular Properties

Compound Name1,6-dimethyl-4-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridin-2-one
PubChem CID121183938
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name1,6-dimethyl-4-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridin-2-one
SMILESCc1cc(OC2CN(CC(F)(F)F)C2)cc(=O)n1C
InChIInChI=1S/C12H15F3N2O2/c1-8-3-9(4-11(18)16(8)2)19-10-5-17(6-10)7-12(13,14)15/h3-4,10H,5-7H2,1-2H3
InChIKeyDXVKRJLJLDWIFB-UHFFFAOYSA-N
XLogP1.32
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-4-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridin-2-one?
The IUPAC name of 1,6-dimethyl-4-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridin-2-one (CID 121183938) is 1,6-dimethyl-4-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridin-2-one.
What is the SMILES notation for 1,6-dimethyl-4-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridin-2-one?
The canonical SMILES for 1,6-dimethyl-4-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridin-2-one is Cc1cc(OC2CN(CC(F)(F)F)C2)cc(=O)n1C.
What is the InChIKey of 1,6-dimethyl-4-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridin-2-one?
The InChIKey is DXVKRJLJLDWIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-8-3-9(4-11(18)16(8)2)19-10-5-17(6-10)7-12(13,14)15/h3-4,10H,5-7H2,1-2H3.
What are the key properties of 1,6-dimethyl-4-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridin-2-one?
1,6-dimethyl-4-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridin-2-one has a molecular weight of 276.26 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-4-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridin-2-one is sourced from PubChem (CID 121183938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).