3,3-difluoro-1-(1-methylazetidin-3-yl)azetidine

C7H12F2N2 — CID 122608330

IUPAC3,3-difluoro-1-(1-methylazetidin-3-yl)azetidine
SMILESCN1CC(N2CC(F)(F)C2)C1
InChIInChI=1S/C7H12F2N2/c1-10-2-6(3-10)11-4-7(8,9)5-11/h6H,2-5H2,1H3
InChIKeyJGDPQTGQUICPEP-UHFFFAOYSA-N
MW162.18 g/mol
LogP0.25
Rot. Bonds1

About 3,3-difluoro-1-(1-methylazetidin-3-yl)azetidine

3,3-difluoro-1-(1-methylazetidin-3-yl)azetidine (PubChem CID 122608330) has the molecular formula C7H12F2N2 and a molecular weight of 162.18 g/mol. Its IUPAC name is 3,3-difluoro-1-(1-methylazetidin-3-yl)azetidine.

Molecular Properties

Compound Name3,3-difluoro-1-(1-methylazetidin-3-yl)azetidine
PubChem CID122608330
Molecular FormulaC7H12F2N2
Molecular Weight162.18 g/mol
Exact Mass162.10
IUPAC Name3,3-difluoro-1-(1-methylazetidin-3-yl)azetidine
SMILESCN1CC(N2CC(F)(F)C2)C1
InChIInChI=1S/C7H12F2N2/c1-10-2-6(3-10)11-4-7(8,9)5-11/h6H,2-5H2,1H3
InChIKeyJGDPQTGQUICPEP-UHFFFAOYSA-N
XLogP0.25
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(1-methylazetidin-3-yl)azetidine?
The IUPAC name of 3,3-difluoro-1-(1-methylazetidin-3-yl)azetidine (CID 122608330) is 3,3-difluoro-1-(1-methylazetidin-3-yl)azetidine.
What is the SMILES notation for 3,3-difluoro-1-(1-methylazetidin-3-yl)azetidine?
The canonical SMILES for 3,3-difluoro-1-(1-methylazetidin-3-yl)azetidine is CN1CC(N2CC(F)(F)C2)C1.
What is the InChIKey of 3,3-difluoro-1-(1-methylazetidin-3-yl)azetidine?
The InChIKey is JGDPQTGQUICPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2/c1-10-2-6(3-10)11-4-7(8,9)5-11/h6H,2-5H2,1H3.
What are the key properties of 3,3-difluoro-1-(1-methylazetidin-3-yl)azetidine?
3,3-difluoro-1-(1-methylazetidin-3-yl)azetidine has a molecular weight of 162.18 g/mol, XLogP of 0.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(1-methylazetidin-3-yl)azetidine is sourced from PubChem (CID 122608330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).