2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]oxyacetic acid

C8H13F2NO3 — CID 102659655

IUPAC2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(CC(F)F)C1
InChIInChI=1S/C8H13F2NO3/c1-8(14-3-7(12)13)4-11(5-8)2-6(9)10/h6H,2-5H2,1H3,(H,12,13)
InChIKeyYOCBVOBKXVIFTD-UHFFFAOYSA-N
MW209.19 g/mol
LogP0.43
Rot. Bonds5

About 2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]oxyacetic acid

2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102659655) has the molecular formula C8H13F2NO3 and a molecular weight of 209.19 g/mol. Its IUPAC name is 2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102659655
Molecular FormulaC8H13F2NO3
Molecular Weight209.19 g/mol
Exact Mass209.09
IUPAC Name2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(CC(F)F)C1
InChIInChI=1S/C8H13F2NO3/c1-8(14-3-7(12)13)4-11(5-8)2-6(9)10/h6H,2-5H2,1H3,(H,12,13)
InChIKeyYOCBVOBKXVIFTD-UHFFFAOYSA-N
XLogP0.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]oxyacetic acid (CID 102659655) is 2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]oxyacetic acid is CC1(OCC(=O)O)CN(CC(F)F)C1.
What is the InChIKey of 2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is YOCBVOBKXVIFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO3/c1-8(14-3-7(12)13)4-11(5-8)2-6(9)10/h6H,2-5H2,1H3,(H,12,13).
What are the key properties of 2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 209.19 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102659655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).