2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-2-methylmorpholine

C10H18F2N2O — CID 156700834

IUPAC2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-2-methylmorpholine
SMILESCC1(CCN2CC(F)(F)C2)CNCCO1
InChIInChI=1S/C10H18F2N2O/c1-9(6-13-3-5-15-9)2-4-14-7-10(11,12)8-14/h13H,2-8H2,1H3
InChIKeySYQNLGGSMCXICX-UHFFFAOYSA-N
MW220.26 g/mol
LogP0.71
Rot. Bonds3

About 2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-2-methylmorpholine

2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-2-methylmorpholine (PubChem CID 156700834) has the molecular formula C10H18F2N2O and a molecular weight of 220.26 g/mol. Its IUPAC name is 2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-2-methylmorpholine.

Molecular Properties

Compound Name2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-2-methylmorpholine
PubChem CID156700834
Molecular FormulaC10H18F2N2O
Molecular Weight220.26 g/mol
Exact Mass220.14
IUPAC Name2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-2-methylmorpholine
SMILESCC1(CCN2CC(F)(F)C2)CNCCO1
InChIInChI=1S/C10H18F2N2O/c1-9(6-13-3-5-15-9)2-4-14-7-10(11,12)8-14/h13H,2-8H2,1H3
InChIKeySYQNLGGSMCXICX-UHFFFAOYSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-2-methylmorpholine?
The IUPAC name of 2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-2-methylmorpholine (CID 156700834) is 2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-2-methylmorpholine.
What is the SMILES notation for 2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-2-methylmorpholine?
The canonical SMILES for 2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-2-methylmorpholine is CC1(CCN2CC(F)(F)C2)CNCCO1.
What is the InChIKey of 2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-2-methylmorpholine?
The InChIKey is SYQNLGGSMCXICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O/c1-9(6-13-3-5-15-9)2-4-14-7-10(11,12)8-14/h13H,2-8H2,1H3.
What are the key properties of 2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-2-methylmorpholine?
2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-2-methylmorpholine has a molecular weight of 220.26 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-2-methylmorpholine is sourced from PubChem (CID 156700834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).