2-(3-fluoroazetidin-3-yl)-1-pyrrolidin-1-ylethanone;hydrochloride

C9H16ClFN2O — CID 122239614

IUPAC2-(3-fluoroazetidin-3-yl)-1-pyrrolidin-1-ylethanone;hydrochloride
SMILESCl.O=C(CC1(F)CNC1)N1CCCC1
InChIInChI=1S/C9H15FN2O.ClH/c10-9(6-11-7-9)5-8(13)12-3-1-2-4-12;/h11H,1-7H2;1H
InChIKeyJVYCJJMYOFWTKT-UHFFFAOYSA-N
MW222.69 g/mol
LogP0.73
Rot. Bonds2

About 2-(3-fluoroazetidin-3-yl)-1-pyrrolidin-1-ylethanone;hydrochloride

2-(3-fluoroazetidin-3-yl)-1-pyrrolidin-1-ylethanone;hydrochloride (PubChem CID 122239614) has the molecular formula C9H16ClFN2O and a molecular weight of 222.69 g/mol. Its IUPAC name is 2-(3-fluoroazetidin-3-yl)-1-pyrrolidin-1-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-(3-fluoroazetidin-3-yl)-1-pyrrolidin-1-ylethanone;hydrochloride
PubChem CID122239614
Molecular FormulaC9H16ClFN2O
Molecular Weight222.69 g/mol
Exact Mass222.09
IUPAC Name2-(3-fluoroazetidin-3-yl)-1-pyrrolidin-1-ylethanone;hydrochloride
SMILESCl.O=C(CC1(F)CNC1)N1CCCC1
InChIInChI=1S/C9H15FN2O.ClH/c10-9(6-11-7-9)5-8(13)12-3-1-2-4-12;/h11H,1-7H2;1H
InChIKeyJVYCJJMYOFWTKT-UHFFFAOYSA-N
XLogP0.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.69
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroazetidin-3-yl)-1-pyrrolidin-1-ylethanone;hydrochloride?
The IUPAC name of 2-(3-fluoroazetidin-3-yl)-1-pyrrolidin-1-ylethanone;hydrochloride (CID 122239614) is 2-(3-fluoroazetidin-3-yl)-1-pyrrolidin-1-ylethanone;hydrochloride.
What is the SMILES notation for 2-(3-fluoroazetidin-3-yl)-1-pyrrolidin-1-ylethanone;hydrochloride?
The canonical SMILES for 2-(3-fluoroazetidin-3-yl)-1-pyrrolidin-1-ylethanone;hydrochloride is Cl.O=C(CC1(F)CNC1)N1CCCC1.
What is the InChIKey of 2-(3-fluoroazetidin-3-yl)-1-pyrrolidin-1-ylethanone;hydrochloride?
The InChIKey is JVYCJJMYOFWTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O.ClH/c10-9(6-11-7-9)5-8(13)12-3-1-2-4-12;/h11H,1-7H2;1H.
What are the key properties of 2-(3-fluoroazetidin-3-yl)-1-pyrrolidin-1-ylethanone;hydrochloride?
2-(3-fluoroazetidin-3-yl)-1-pyrrolidin-1-ylethanone;hydrochloride has a molecular weight of 222.69 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroazetidin-3-yl)-1-pyrrolidin-1-ylethanone;hydrochloride is sourced from PubChem (CID 122239614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).