1-[(3-fluoroazetidin-3-yl)methyl]pyrrolidine

C8H15FN2 — CID 166507687

IUPAC1-[(3-fluoroazetidin-3-yl)methyl]pyrrolidine
SMILESFC1(CN2CCCC2)CNC1
InChIInChI=1S/C8H15FN2/c9-8(5-10-6-8)7-11-3-1-2-4-11/h10H,1-7H2
InChIKeyDNFBUXPXTZMUOA-UHFFFAOYSA-N
MW158.22 g/mol
LogP0.39
Rot. Bonds2

About 1-[(3-fluoroazetidin-3-yl)methyl]pyrrolidine

1-[(3-fluoroazetidin-3-yl)methyl]pyrrolidine (PubChem CID 166507687) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is 1-[(3-fluoroazetidin-3-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name1-[(3-fluoroazetidin-3-yl)methyl]pyrrolidine
PubChem CID166507687
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name1-[(3-fluoroazetidin-3-yl)methyl]pyrrolidine
SMILESFC1(CN2CCCC2)CNC1
InChIInChI=1S/C8H15FN2/c9-8(5-10-6-8)7-11-3-1-2-4-11/h10H,1-7H2
InChIKeyDNFBUXPXTZMUOA-UHFFFAOYSA-N
XLogP0.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoroazetidin-3-yl)methyl]pyrrolidine?
The IUPAC name of 1-[(3-fluoroazetidin-3-yl)methyl]pyrrolidine (CID 166507687) is 1-[(3-fluoroazetidin-3-yl)methyl]pyrrolidine.
What is the SMILES notation for 1-[(3-fluoroazetidin-3-yl)methyl]pyrrolidine?
The canonical SMILES for 1-[(3-fluoroazetidin-3-yl)methyl]pyrrolidine is FC1(CN2CCCC2)CNC1.
What is the InChIKey of 1-[(3-fluoroazetidin-3-yl)methyl]pyrrolidine?
The InChIKey is DNFBUXPXTZMUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2/c9-8(5-10-6-8)7-11-3-1-2-4-11/h10H,1-7H2.
What are the key properties of 1-[(3-fluoroazetidin-3-yl)methyl]pyrrolidine?
1-[(3-fluoroazetidin-3-yl)methyl]pyrrolidine has a molecular weight of 158.22 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoroazetidin-3-yl)methyl]pyrrolidine is sourced from PubChem (CID 166507687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).