2-(azetidin-3-yl)-2-fluoro-N-(1-methylazetidin-3-yl)acetamide

C9H16FN3O — CID 131160711

IUPAC2-(azetidin-3-yl)-2-fluoro-N-(1-methylazetidin-3-yl)acetamide
SMILESCN1CC(NC(=O)C(F)C2CNC2)C1
InChIInChI=1S/C9H16FN3O/c1-13-4-7(5-13)12-9(14)8(10)6-2-11-3-6/h6-8,11H,2-5H2,1H3,(H,12,14)
InChIKeyMSCPLFMIKAKDRO-UHFFFAOYSA-N
MW201.24 g/mol
LogP-1.03
Rot. Bonds3

About 2-(azetidin-3-yl)-2-fluoro-N-(1-methylazetidin-3-yl)acetamide

2-(azetidin-3-yl)-2-fluoro-N-(1-methylazetidin-3-yl)acetamide (PubChem CID 131160711) has the molecular formula C9H16FN3O and a molecular weight of 201.24 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-2-fluoro-N-(1-methylazetidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-2-fluoro-N-(1-methylazetidin-3-yl)acetamide
PubChem CID131160711
Molecular FormulaC9H16FN3O
Molecular Weight201.24 g/mol
Exact Mass201.13
IUPAC Name2-(azetidin-3-yl)-2-fluoro-N-(1-methylazetidin-3-yl)acetamide
SMILESCN1CC(NC(=O)C(F)C2CNC2)C1
InChIInChI=1S/C9H16FN3O/c1-13-4-7(5-13)12-9(14)8(10)6-2-11-3-6/h6-8,11H,2-5H2,1H3,(H,12,14)
InChIKeyMSCPLFMIKAKDRO-UHFFFAOYSA-N
XLogP-1.03
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-2-fluoro-N-(1-methylazetidin-3-yl)acetamide?
The IUPAC name of 2-(azetidin-3-yl)-2-fluoro-N-(1-methylazetidin-3-yl)acetamide (CID 131160711) is 2-(azetidin-3-yl)-2-fluoro-N-(1-methylazetidin-3-yl)acetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-2-fluoro-N-(1-methylazetidin-3-yl)acetamide?
The canonical SMILES for 2-(azetidin-3-yl)-2-fluoro-N-(1-methylazetidin-3-yl)acetamide is CN1CC(NC(=O)C(F)C2CNC2)C1.
What is the InChIKey of 2-(azetidin-3-yl)-2-fluoro-N-(1-methylazetidin-3-yl)acetamide?
The InChIKey is MSCPLFMIKAKDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN3O/c1-13-4-7(5-13)12-9(14)8(10)6-2-11-3-6/h6-8,11H,2-5H2,1H3,(H,12,14).
What are the key properties of 2-(azetidin-3-yl)-2-fluoro-N-(1-methylazetidin-3-yl)acetamide?
2-(azetidin-3-yl)-2-fluoro-N-(1-methylazetidin-3-yl)acetamide has a molecular weight of 201.24 g/mol, XLogP of -1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-2-fluoro-N-(1-methylazetidin-3-yl)acetamide is sourced from PubChem (CID 131160711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).