2-(3-methylazetidin-3-yl)oxy-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

C9H15F3N2O3 — CID 102611492

IUPAC2-(3-methylazetidin-3-yl)oxy-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESCC1(OCC(=O)NCC(O)C(F)(F)F)CNC1
InChIInChI=1S/C9H15F3N2O3/c1-8(4-13-5-8)17-3-7(16)14-2-6(15)9(10,11)12/h6,13,15H,2-5H2,1H3,(H,14,16)
InChIKeyBSLAYRAUFQTWGR-UHFFFAOYSA-N
MW256.22 g/mol
LogP-0.60
Rot. Bonds5

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

2-(3-methylazetidin-3-yl)oxy-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (PubChem CID 102611492) has the molecular formula C9H15F3N2O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is 2-(3-methylazetidin-3-yl)oxy-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(3-methylazetidin-3-yl)oxy-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
PubChem CID102611492
Molecular FormulaC9H15F3N2O3
Molecular Weight256.22 g/mol
Exact Mass256.10
IUPAC Name2-(3-methylazetidin-3-yl)oxy-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESCC1(OCC(=O)NCC(O)C(F)(F)F)CNC1
InChIInChI=1S/C9H15F3N2O3/c1-8(4-13-5-8)17-3-7(16)14-2-6(15)9(10,11)12/h6,13,15H,2-5H2,1H3,(H,14,16)
InChIKeyBSLAYRAUFQTWGR-UHFFFAOYSA-N
XLogP-0.60
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (CID 102611492) is 2-(3-methylazetidin-3-yl)oxy-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(3-methylazetidin-3-yl)oxy-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for 2-(3-methylazetidin-3-yl)oxy-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is CC1(OCC(=O)NCC(O)C(F)(F)F)CNC1.
What is the InChIKey of 2-(3-methylazetidin-3-yl)oxy-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The InChIKey is BSLAYRAUFQTWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O3/c1-8(4-13-5-8)17-3-7(16)14-2-6(15)9(10,11)12/h6,13,15H,2-5H2,1H3,(H,14,16).
What are the key properties of 2-(3-methylazetidin-3-yl)oxy-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
2-(3-methylazetidin-3-yl)oxy-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide has a molecular weight of 256.22 g/mol, XLogP of -0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylazetidin-3-yl)oxy-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 102611492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).