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

C8H13F3N2O3 — CID 102611756

IUPAC2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethoxy)acetamide
SMILESCC1(OCC(=O)NOCC(F)(F)F)CNC1
InChIInChI=1S/C8H13F3N2O3/c1-7(3-12-4-7)15-2-6(14)13-16-5-8(9,10)11/h12H,2-5H2,1H3,(H,13,14)
InChIKeyDLUVVVZCWVHJKA-UHFFFAOYSA-N
MW242.20 g/mol
LogP-0.03
Rot. Bonds5

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

2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 102611756) has the molecular formula C8H13F3N2O3 and a molecular weight of 242.20 g/mol. Its IUPAC name is 2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound Name2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethoxy)acetamide
PubChem CID102611756
Molecular FormulaC8H13F3N2O3
Molecular Weight242.20 g/mol
Exact Mass242.09
IUPAC Name2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethoxy)acetamide
SMILESCC1(OCC(=O)NOCC(F)(F)F)CNC1
InChIInChI=1S/C8H13F3N2O3/c1-7(3-12-4-7)15-2-6(14)13-16-5-8(9,10)11/h12H,2-5H2,1H3,(H,13,14)
InChIKeyDLUVVVZCWVHJKA-UHFFFAOYSA-N
XLogP-0.03
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethoxy)acetamide (CID 102611756) is 2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for 2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for 2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethoxy)acetamide is CC1(OCC(=O)NOCC(F)(F)F)CNC1.
What is the InChIKey of 2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is DLUVVVZCWVHJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O3/c1-7(3-12-4-7)15-2-6(14)13-16-5-8(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-trifluoroethoxy)acetamide?
2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 242.20 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 102611756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).