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

C11H11F5N2O — CID 171826123

IUPAC5-[2-(3,3-difluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)c(CCN2CC(F)(F)C2)c[nH]1
InChIInChI=1S/C11H11F5N2O/c12-10(13)5-18(6-10)2-1-7-4-17-9(19)3-8(7)11(14,15)16/h3-4H,1-2,5-6H2,(H,17,19)
InChIKeyHKIZXBNQWUCIBP-UHFFFAOYSA-N
MW282.21 g/mol
LogP1.89
Rot. Bonds3

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

5-[2-(3,3-difluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 171826123) has the molecular formula C11H11F5N2O and a molecular weight of 282.21 g/mol. Its IUPAC name is 5-[2-(3,3-difluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[2-(3,3-difluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID171826123
Molecular FormulaC11H11F5N2O
Molecular Weight282.21 g/mol
Exact Mass282.08
IUPAC Name5-[2-(3,3-difluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)c(CCN2CC(F)(F)C2)c[nH]1
InChIInChI=1S/C11H11F5N2O/c12-10(13)5-18(6-10)2-1-7-4-17-9(19)3-8(7)11(14,15)16/h3-4H,1-2,5-6H2,(H,17,19)
InChIKeyHKIZXBNQWUCIBP-UHFFFAOYSA-N
XLogP1.89
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.21
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,3-difluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-[2-(3,3-difluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one (CID 171826123) is 5-[2-(3,3-difluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-[2-(3,3-difluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-[2-(3,3-difluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one is O=c1cc(C(F)(F)F)c(CCN2CC(F)(F)C2)c[nH]1.
What is the InChIKey of 5-[2-(3,3-difluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is HKIZXBNQWUCIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F5N2O/c12-10(13)5-18(6-10)2-1-7-4-17-9(19)3-8(7)11(14,15)16/h3-4H,1-2,5-6H2,(H,17,19).
What are the key properties of 5-[2-(3,3-difluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
5-[2-(3,3-difluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 282.21 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,3-difluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 171826123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).