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

C13H15F5N2O — CID 171826350

IUPAC5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one;fluoroethene
SMILESC=CF.O=c1cc(C(F)(F)F)c(CCN2CC(F)C2)c[nH]1
InChIInChI=1S/C11H12F4N2O.C2H3F/c12-8-5-17(6-8)2-1-7-4-16-10(18)3-9(7)11(13,14)15;1-2-3/h3-4,8H,1-2,5-6H2,(H,16,18);2H,1H2
InChIKeyLZLZZPSBKWEISV-UHFFFAOYSA-N
MW310.27 g/mol
LogP2.69
Rot. Bonds3

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

5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one;fluoroethene (PubChem CID 171826350) has the molecular formula C13H15F5N2O and a molecular weight of 310.27 g/mol. Its IUPAC name is 5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one;fluoroethene.

Molecular Properties

Compound Name5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one;fluoroethene
PubChem CID171826350
Molecular FormulaC13H15F5N2O
Molecular Weight310.27 g/mol
Exact Mass310.11
IUPAC Name5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one;fluoroethene
SMILESC=CF.O=c1cc(C(F)(F)F)c(CCN2CC(F)C2)c[nH]1
InChIInChI=1S/C11H12F4N2O.C2H3F/c12-8-5-17(6-8)2-1-7-4-16-10(18)3-9(7)11(13,14)15;1-2-3/h3-4,8H,1-2,5-6H2,(H,16,18);2H,1H2
InChIKeyLZLZZPSBKWEISV-UHFFFAOYSA-N
XLogP2.69
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 52.69
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;fluoroethene?
The IUPAC name of 5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one;fluoroethene (CID 171826350) is 5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one;fluoroethene.
What is the SMILES notation for 5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one;fluoroethene?
The canonical SMILES for 5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one;fluoroethene is C=CF.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;fluoroethene?
The InChIKey is LZLZZPSBKWEISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4N2O.C2H3F/c12-8-5-17(6-8)2-1-7-4-16-10(18)3-9(7)11(13,14)15;1-2-3/h3-4,8H,1-2,5-6H2,(H,16,18);2H,1H2.
What are the key properties of 5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one;fluoroethene?
5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one;fluoroethene has a molecular weight of 310.27 g/mol, XLogP of 2.69, 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;fluoroethene is sourced from PubChem (CID 171826350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).