4,4-difluoro-1-(1-methylazetidin-3-yl)piperidine

C9H16F2N2 — CID 122608319

IUPAC4,4-difluoro-1-(1-methylazetidin-3-yl)piperidine
SMILESCN1CC(N2CCC(F)(F)CC2)C1
InChIInChI=1S/C9H16F2N2/c1-12-6-8(7-12)13-4-2-9(10,11)3-5-13/h8H,2-7H2,1H3
InChIKeyPSAYLYWFOYJGHL-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.03
Rot. Bonds1

About 4,4-difluoro-1-(1-methylazetidin-3-yl)piperidine

4,4-difluoro-1-(1-methylazetidin-3-yl)piperidine (PubChem CID 122608319) has the molecular formula C9H16F2N2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 4,4-difluoro-1-(1-methylazetidin-3-yl)piperidine.

Molecular Properties

Compound Name4,4-difluoro-1-(1-methylazetidin-3-yl)piperidine
PubChem CID122608319
Molecular FormulaC9H16F2N2
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name4,4-difluoro-1-(1-methylazetidin-3-yl)piperidine
SMILESCN1CC(N2CCC(F)(F)CC2)C1
InChIInChI=1S/C9H16F2N2/c1-12-6-8(7-12)13-4-2-9(10,11)3-5-13/h8H,2-7H2,1H3
InChIKeyPSAYLYWFOYJGHL-UHFFFAOYSA-N
XLogP1.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-(1-methylazetidin-3-yl)piperidine?
The IUPAC name of 4,4-difluoro-1-(1-methylazetidin-3-yl)piperidine (CID 122608319) is 4,4-difluoro-1-(1-methylazetidin-3-yl)piperidine.
What is the SMILES notation for 4,4-difluoro-1-(1-methylazetidin-3-yl)piperidine?
The canonical SMILES for 4,4-difluoro-1-(1-methylazetidin-3-yl)piperidine is CN1CC(N2CCC(F)(F)CC2)C1.
What is the InChIKey of 4,4-difluoro-1-(1-methylazetidin-3-yl)piperidine?
The InChIKey is PSAYLYWFOYJGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2/c1-12-6-8(7-12)13-4-2-9(10,11)3-5-13/h8H,2-7H2,1H3.
What are the key properties of 4,4-difluoro-1-(1-methylazetidin-3-yl)piperidine?
4,4-difluoro-1-(1-methylazetidin-3-yl)piperidine has a molecular weight of 190.24 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-(1-methylazetidin-3-yl)piperidine is sourced from PubChem (CID 122608319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).