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

C9H16FNO3 — CID 102659379

IUPAC2-[1-(3-fluoropropyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(CCCF)C1
InChIInChI=1S/C9H16FNO3/c1-9(14-5-8(12)13)6-11(7-9)4-2-3-10/h2-7H2,1H3,(H,12,13)
InChIKeyWOFWNRKWYDNGCK-UHFFFAOYSA-N
MW205.23 g/mol
LogP0.52
Rot. Bonds6

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

2-[1-(3-fluoropropyl)-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102659379) has the molecular formula C9H16FNO3 and a molecular weight of 205.23 g/mol. Its IUPAC name is 2-[1-(3-fluoropropyl)-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(3-fluoropropyl)-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102659379
Molecular FormulaC9H16FNO3
Molecular Weight205.23 g/mol
Exact Mass205.11
IUPAC Name2-[1-(3-fluoropropyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(CCCF)C1
InChIInChI=1S/C9H16FNO3/c1-9(14-5-8(12)13)6-11(7-9)4-2-3-10/h2-7H2,1H3,(H,12,13)
InChIKeyWOFWNRKWYDNGCK-UHFFFAOYSA-N
XLogP0.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluoropropyl)-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-(3-fluoropropyl)-3-methylazetidin-3-yl]oxyacetic acid (CID 102659379) is 2-[1-(3-fluoropropyl)-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(3-fluoropropyl)-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(3-fluoropropyl)-3-methylazetidin-3-yl]oxyacetic acid is CC1(OCC(=O)O)CN(CCCF)C1.
What is the InChIKey of 2-[1-(3-fluoropropyl)-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is WOFWNRKWYDNGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO3/c1-9(14-5-8(12)13)6-11(7-9)4-2-3-10/h2-7H2,1H3,(H,12,13).
What are the key properties of 2-[1-(3-fluoropropyl)-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-(3-fluoropropyl)-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 205.23 g/mol, XLogP of 0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluoropropyl)-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102659379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).