1-[1-(2,2-difluoroethyl)azetidin-3-yl]oxy-N-methylethanamine

C8H16F2N2O — CID 170104318

IUPAC1-[1-(2,2-difluoroethyl)azetidin-3-yl]oxy-N-methylethanamine
SMILESCNC(C)OC1CN(CC(F)F)C1
InChIInChI=1S/C8H16F2N2O/c1-6(11-2)13-7-3-12(4-7)5-8(9)10/h6-8,11H,3-5H2,1-2H3
InChIKeyYSYNJDNJFDVBJJ-UHFFFAOYSA-N
MW194.22 g/mol
LogP0.52
Rot. Bonds5

About 1-[1-(2,2-difluoroethyl)azetidin-3-yl]oxy-N-methylethanamine

1-[1-(2,2-difluoroethyl)azetidin-3-yl]oxy-N-methylethanamine (PubChem CID 170104318) has the molecular formula C8H16F2N2O and a molecular weight of 194.22 g/mol. Its IUPAC name is 1-[1-(2,2-difluoroethyl)azetidin-3-yl]oxy-N-methylethanamine.

Molecular Properties

Compound Name1-[1-(2,2-difluoroethyl)azetidin-3-yl]oxy-N-methylethanamine
PubChem CID170104318
Molecular FormulaC8H16F2N2O
Molecular Weight194.22 g/mol
Exact Mass194.12
IUPAC Name1-[1-(2,2-difluoroethyl)azetidin-3-yl]oxy-N-methylethanamine
SMILESCNC(C)OC1CN(CC(F)F)C1
InChIInChI=1S/C8H16F2N2O/c1-6(11-2)13-7-3-12(4-7)5-8(9)10/h6-8,11H,3-5H2,1-2H3
InChIKeyYSYNJDNJFDVBJJ-UHFFFAOYSA-N
XLogP0.52
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-difluoroethyl)azetidin-3-yl]oxy-N-methylethanamine?
The IUPAC name of 1-[1-(2,2-difluoroethyl)azetidin-3-yl]oxy-N-methylethanamine (CID 170104318) is 1-[1-(2,2-difluoroethyl)azetidin-3-yl]oxy-N-methylethanamine.
What is the SMILES notation for 1-[1-(2,2-difluoroethyl)azetidin-3-yl]oxy-N-methylethanamine?
The canonical SMILES for 1-[1-(2,2-difluoroethyl)azetidin-3-yl]oxy-N-methylethanamine is CNC(C)OC1CN(CC(F)F)C1.
What is the InChIKey of 1-[1-(2,2-difluoroethyl)azetidin-3-yl]oxy-N-methylethanamine?
The InChIKey is YSYNJDNJFDVBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O/c1-6(11-2)13-7-3-12(4-7)5-8(9)10/h6-8,11H,3-5H2,1-2H3.
What are the key properties of 1-[1-(2,2-difluoroethyl)azetidin-3-yl]oxy-N-methylethanamine?
1-[1-(2,2-difluoroethyl)azetidin-3-yl]oxy-N-methylethanamine has a molecular weight of 194.22 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-difluoroethyl)azetidin-3-yl]oxy-N-methylethanamine is sourced from PubChem (CID 170104318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).