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

C9H15F3N2O2 — CID 102611130

IUPAC2-(3-methylazetidin-3-yl)oxy-N-(3,3,3-trifluoropropyl)acetamide
SMILESCC1(OCC(=O)NCCC(F)(F)F)CNC1
InChIInChI=1S/C9H15F3N2O2/c1-8(5-13-6-8)16-4-7(15)14-3-2-9(10,11)12/h13H,2-6H2,1H3,(H,14,15)
InChIKeyPDJFMEFZTSDYHY-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.43
Rot. Bonds5

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

2-(3-methylazetidin-3-yl)oxy-N-(3,3,3-trifluoropropyl)acetamide (PubChem CID 102611130) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-(3-methylazetidin-3-yl)oxy-N-(3,3,3-trifluoropropyl)acetamide.

Molecular Properties

Compound Name2-(3-methylazetidin-3-yl)oxy-N-(3,3,3-trifluoropropyl)acetamide
PubChem CID102611130
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name2-(3-methylazetidin-3-yl)oxy-N-(3,3,3-trifluoropropyl)acetamide
SMILESCC1(OCC(=O)NCCC(F)(F)F)CNC1
InChIInChI=1S/C9H15F3N2O2/c1-8(5-13-6-8)16-4-7(15)14-3-2-9(10,11)12/h13H,2-6H2,1H3,(H,14,15)
InChIKeyPDJFMEFZTSDYHY-UHFFFAOYSA-N
XLogP0.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.43
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-(3,3,3-trifluoropropyl)acetamide?
The IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-(3,3,3-trifluoropropyl)acetamide (CID 102611130) is 2-(3-methylazetidin-3-yl)oxy-N-(3,3,3-trifluoropropyl)acetamide.
What is the SMILES notation for 2-(3-methylazetidin-3-yl)oxy-N-(3,3,3-trifluoropropyl)acetamide?
The canonical SMILES for 2-(3-methylazetidin-3-yl)oxy-N-(3,3,3-trifluoropropyl)acetamide is CC1(OCC(=O)NCCC(F)(F)F)CNC1.
What is the InChIKey of 2-(3-methylazetidin-3-yl)oxy-N-(3,3,3-trifluoropropyl)acetamide?
The InChIKey is PDJFMEFZTSDYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-8(5-13-6-8)16-4-7(15)14-3-2-9(10,11)12/h13H,2-6H2,1H3,(H,14,15).
What are the key properties of 2-(3-methylazetidin-3-yl)oxy-N-(3,3,3-trifluoropropyl)acetamide?
2-(3-methylazetidin-3-yl)oxy-N-(3,3,3-trifluoropropyl)acetamide has a molecular weight of 240.22 g/mol, XLogP of 0.43, 5 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-(3,3,3-trifluoropropyl)acetamide is sourced from PubChem (CID 102611130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).