5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one

C11H12F4N2O — CID 171825936

IUPAC5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)c(CCN2CC(F)C2)c[nH]1
InChIInChI=1S/C11H12F4N2O/c12-8-5-17(6-8)2-1-7-4-16-10(18)3-9(7)11(13,14)15/h3-4,8H,1-2,5-6H2,(H,16,18)
InChIKeyUKWDTMVGCSNOFE-UHFFFAOYSA-N
MW264.22 g/mol
LogP1.59
Rot. Bonds3

About 5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one

5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 171825936) has the molecular formula C11H12F4N2O and a molecular weight of 264.22 g/mol. Its IUPAC name is 5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID171825936
Molecular FormulaC11H12F4N2O
Molecular Weight264.22 g/mol
Exact Mass264.09
IUPAC Name5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)c(CCN2CC(F)C2)c[nH]1
InChIInChI=1S/C11H12F4N2O/c12-8-5-17(6-8)2-1-7-4-16-10(18)3-9(7)11(13,14)15/h3-4,8H,1-2,5-6H2,(H,16,18)
InChIKeyUKWDTMVGCSNOFE-UHFFFAOYSA-N
XLogP1.59
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one (CID 171825936) is 5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one is O=c1cc(C(F)(F)F)c(CCN2CC(F)C2)c[nH]1.
What is the InChIKey of 5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is UKWDTMVGCSNOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4N2O/c12-8-5-17(6-8)2-1-7-4-16-10(18)3-9(7)11(13,14)15/h3-4,8H,1-2,5-6H2,(H,16,18).
What are the key properties of 5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 264.22 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 171825936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).