3-(3-fluoroazetidin-1-yl)-1,4-dimethylpyrrolidine

C9H17FN2 — CID 131131886

IUPAC3-(3-fluoroazetidin-1-yl)-1,4-dimethylpyrrolidine
SMILESCC1CN(C)CC1N1CC(F)C1
InChIInChI=1S/C9H17FN2/c1-7-3-11(2)6-9(7)12-4-8(10)5-12/h7-9H,3-6H2,1-2H3
InChIKeyROGFSDWYFIBILC-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.59
Rot. Bonds1

About 3-(3-fluoroazetidin-1-yl)-1,4-dimethylpyrrolidine

3-(3-fluoroazetidin-1-yl)-1,4-dimethylpyrrolidine (PubChem CID 131131886) has the molecular formula C9H17FN2 and a molecular weight of 172.25 g/mol. Its IUPAC name is 3-(3-fluoroazetidin-1-yl)-1,4-dimethylpyrrolidine.

Molecular Properties

Compound Name3-(3-fluoroazetidin-1-yl)-1,4-dimethylpyrrolidine
PubChem CID131131886
Molecular FormulaC9H17FN2
Molecular Weight172.25 g/mol
Exact Mass172.14
IUPAC Name3-(3-fluoroazetidin-1-yl)-1,4-dimethylpyrrolidine
SMILESCC1CN(C)CC1N1CC(F)C1
InChIInChI=1S/C9H17FN2/c1-7-3-11(2)6-9(7)12-4-8(10)5-12/h7-9H,3-6H2,1-2H3
InChIKeyROGFSDWYFIBILC-UHFFFAOYSA-N
XLogP0.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoroazetidin-1-yl)-1,4-dimethylpyrrolidine?
The IUPAC name of 3-(3-fluoroazetidin-1-yl)-1,4-dimethylpyrrolidine (CID 131131886) is 3-(3-fluoroazetidin-1-yl)-1,4-dimethylpyrrolidine.
What is the SMILES notation for 3-(3-fluoroazetidin-1-yl)-1,4-dimethylpyrrolidine?
The canonical SMILES for 3-(3-fluoroazetidin-1-yl)-1,4-dimethylpyrrolidine is CC1CN(C)CC1N1CC(F)C1.
What is the InChIKey of 3-(3-fluoroazetidin-1-yl)-1,4-dimethylpyrrolidine?
The InChIKey is ROGFSDWYFIBILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2/c1-7-3-11(2)6-9(7)12-4-8(10)5-12/h7-9H,3-6H2,1-2H3.
What are the key properties of 3-(3-fluoroazetidin-1-yl)-1,4-dimethylpyrrolidine?
3-(3-fluoroazetidin-1-yl)-1,4-dimethylpyrrolidine has a molecular weight of 172.25 g/mol, XLogP of 0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoroazetidin-1-yl)-1,4-dimethylpyrrolidine is sourced from PubChem (CID 131131886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).