2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide

C8H13F3N2O2 — CID 83065331

IUPAC2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1(OCC(=O)NCC(F)(F)F)CNC1
InChIInChI=1S/C8H13F3N2O2/c1-7(3-12-4-7)15-2-6(14)13-5-8(9,10)11/h12H,2-5H2,1H3,(H,13,14)
InChIKeyYYZRJIIWWNNHQJ-UHFFFAOYSA-N
MW226.20 g/mol
LogP0.04
Rot. Bonds4

About 2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide

2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 83065331) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID83065331
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC Name2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1(OCC(=O)NCC(F)(F)F)CNC1
InChIInChI=1S/C8H13F3N2O2/c1-7(3-12-4-7)15-2-6(14)13-5-8(9,10)11/h12H,2-5H2,1H3,(H,13,14)
InChIKeyYYZRJIIWWNNHQJ-UHFFFAOYSA-N
XLogP0.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide (CID 83065331) is 2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide is CC1(OCC(=O)NCC(F)(F)F)CNC1.
What is the InChIKey of 2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is YYZRJIIWWNNHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c1-7(3-12-4-7)15-2-6(14)13-5-8(9,10)11/h12H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide?
2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 226.20 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 83065331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).