2-[3-methyl-1-(3,3,3-trifluoropropyl)azetidin-3-yl]oxyacetic acid

C9H14F3NO3 — CID 102659359

IUPAC2-[3-methyl-1-(3,3,3-trifluoropropyl)azetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(CCC(F)(F)F)C1
InChIInChI=1S/C9H14F3NO3/c1-8(16-4-7(14)15)5-13(6-8)3-2-9(10,11)12/h2-6H2,1H3,(H,14,15)
InChIKeyUGUMPPMNJJOVMX-UHFFFAOYSA-N
MW241.21 g/mol
LogP1.11
Rot. Bonds5

About 2-[3-methyl-1-(3,3,3-trifluoropropyl)azetidin-3-yl]oxyacetic acid

2-[3-methyl-1-(3,3,3-trifluoropropyl)azetidin-3-yl]oxyacetic acid (PubChem CID 102659359) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 2-[3-methyl-1-(3,3,3-trifluoropropyl)azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-(3,3,3-trifluoropropyl)azetidin-3-yl]oxyacetic acid
PubChem CID102659359
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name2-[3-methyl-1-(3,3,3-trifluoropropyl)azetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(CCC(F)(F)F)C1
InChIInChI=1S/C9H14F3NO3/c1-8(16-4-7(14)15)5-13(6-8)3-2-9(10,11)12/h2-6H2,1H3,(H,14,15)
InChIKeyUGUMPPMNJJOVMX-UHFFFAOYSA-N
XLogP1.11
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-(3,3,3-trifluoropropyl)azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[3-methyl-1-(3,3,3-trifluoropropyl)azetidin-3-yl]oxyacetic acid (CID 102659359) is 2-[3-methyl-1-(3,3,3-trifluoropropyl)azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-methyl-1-(3,3,3-trifluoropropyl)azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[3-methyl-1-(3,3,3-trifluoropropyl)azetidin-3-yl]oxyacetic acid is CC1(OCC(=O)O)CN(CCC(F)(F)F)C1.
What is the InChIKey of 2-[3-methyl-1-(3,3,3-trifluoropropyl)azetidin-3-yl]oxyacetic acid?
The InChIKey is UGUMPPMNJJOVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c1-8(16-4-7(14)15)5-13(6-8)3-2-9(10,11)12/h2-6H2,1H3,(H,14,15).
What are the key properties of 2-[3-methyl-1-(3,3,3-trifluoropropyl)azetidin-3-yl]oxyacetic acid?
2-[3-methyl-1-(3,3,3-trifluoropropyl)azetidin-3-yl]oxyacetic acid has a molecular weight of 241.21 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-(3,3,3-trifluoropropyl)azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102659359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).