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

C9H18F2N2O — CID 102657058

IUPAC2,2-difluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine
SMILESCN(CCOC1(C)CNC1)CC(F)F
InChIInChI=1S/C9H18F2N2O/c1-9(6-12-7-9)14-4-3-13(2)5-8(10)11/h8,12H,3-7H2,1-2H3
InChIKeyBZJQPBBXGYJEAM-UHFFFAOYSA-N
MW208.25 g/mol
LogP0.56
Rot. Bonds6

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

2,2-difluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine (PubChem CID 102657058) has the molecular formula C9H18F2N2O and a molecular weight of 208.25 g/mol. Its IUPAC name is 2,2-difluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine
PubChem CID102657058
Molecular FormulaC9H18F2N2O
Molecular Weight208.25 g/mol
Exact Mass208.14
IUPAC Name2,2-difluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine
SMILESCN(CCOC1(C)CNC1)CC(F)F
InChIInChI=1S/C9H18F2N2O/c1-9(6-12-7-9)14-4-3-13(2)5-8(10)11/h8,12H,3-7H2,1-2H3
InChIKeyBZJQPBBXGYJEAM-UHFFFAOYSA-N
XLogP0.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine?
The IUPAC name of 2,2-difluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine (CID 102657058) is 2,2-difluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine?
The canonical SMILES for 2,2-difluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine is CN(CCOC1(C)CNC1)CC(F)F.
What is the InChIKey of 2,2-difluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine?
The InChIKey is BZJQPBBXGYJEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O/c1-9(6-12-7-9)14-4-3-13(2)5-8(10)11/h8,12H,3-7H2,1-2H3.
What are the key properties of 2,2-difluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine?
2,2-difluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine has a molecular weight of 208.25 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine is sourced from PubChem (CID 102657058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).