2,2,2-trifluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine

C9H17F3N2O — CID 102656759

IUPAC2,2,2-trifluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine
SMILESCN(CCOC1(C)CNC1)CC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-8(5-13-6-8)15-4-3-14(2)7-9(10,11)12/h13H,3-7H2,1-2H3
InChIKeyYETJKMBAPIIKLO-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.86
Rot. Bonds5

About 2,2,2-trifluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine

2,2,2-trifluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine (PubChem CID 102656759) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine
PubChem CID102656759
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name2,2,2-trifluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine
SMILESCN(CCOC1(C)CNC1)CC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-8(5-13-6-8)15-4-3-14(2)7-9(10,11)12/h13H,3-7H2,1-2H3
InChIKeyYETJKMBAPIIKLO-UHFFFAOYSA-N
XLogP0.86
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine (CID 102656759) is 2,2,2-trifluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine is CN(CCOC1(C)CNC1)CC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine?
The InChIKey is YETJKMBAPIIKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-8(5-13-6-8)15-4-3-14(2)7-9(10,11)12/h13H,3-7H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine?
2,2,2-trifluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine has a molecular weight of 226.24 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine is sourced from PubChem (CID 102656759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).