3-(3-fluoroazetidin-3-yl)propanenitrile;hydrochloride

C6H10ClFN2 — CID 122239781

IUPAC3-(3-fluoroazetidin-3-yl)propanenitrile;hydrochloride
SMILESCl.N#CCCC1(F)CNC1
InChIInChI=1S/C6H9FN2.ClH/c7-6(2-1-3-8)4-9-5-6;/h9H,1-2,4-5H2;1H
InChIKeyTUGQTGDQXYQUHH-UHFFFAOYSA-N
MW164.61 g/mol
LogP1.02
Rot. Bonds2

About 3-(3-fluoroazetidin-3-yl)propanenitrile;hydrochloride

3-(3-fluoroazetidin-3-yl)propanenitrile;hydrochloride (PubChem CID 122239781) has the molecular formula C6H10ClFN2 and a molecular weight of 164.61 g/mol. Its IUPAC name is 3-(3-fluoroazetidin-3-yl)propanenitrile;hydrochloride.

Molecular Properties

Compound Name3-(3-fluoroazetidin-3-yl)propanenitrile;hydrochloride
PubChem CID122239781
Molecular FormulaC6H10ClFN2
Molecular Weight164.61 g/mol
Exact Mass164.05
IUPAC Name3-(3-fluoroazetidin-3-yl)propanenitrile;hydrochloride
SMILESCl.N#CCCC1(F)CNC1
InChIInChI=1S/C6H9FN2.ClH/c7-6(2-1-3-8)4-9-5-6;/h9H,1-2,4-5H2;1H
InChIKeyTUGQTGDQXYQUHH-UHFFFAOYSA-N
XLogP1.02
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.61
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoroazetidin-3-yl)propanenitrile;hydrochloride?
The IUPAC name of 3-(3-fluoroazetidin-3-yl)propanenitrile;hydrochloride (CID 122239781) is 3-(3-fluoroazetidin-3-yl)propanenitrile;hydrochloride.
What is the SMILES notation for 3-(3-fluoroazetidin-3-yl)propanenitrile;hydrochloride?
The canonical SMILES for 3-(3-fluoroazetidin-3-yl)propanenitrile;hydrochloride is Cl.N#CCCC1(F)CNC1.
What is the InChIKey of 3-(3-fluoroazetidin-3-yl)propanenitrile;hydrochloride?
The InChIKey is TUGQTGDQXYQUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2.ClH/c7-6(2-1-3-8)4-9-5-6;/h9H,1-2,4-5H2;1H.
What are the key properties of 3-(3-fluoroazetidin-3-yl)propanenitrile;hydrochloride?
3-(3-fluoroazetidin-3-yl)propanenitrile;hydrochloride has a molecular weight of 164.61 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoroazetidin-3-yl)propanenitrile;hydrochloride is sourced from PubChem (CID 122239781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).