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

C8H10F3NO4 — CID 102657501

IUPAC2-[3-methyl-1-(2,2,2-trifluoroacetyl)azetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C8H10F3NO4/c1-7(16-2-5(13)14)3-12(4-7)6(15)8(9,10)11/h2-4H2,1H3,(H,13,14)
InChIKeyFWBVIGMGGPQQAE-UHFFFAOYSA-N
MW241.16 g/mol
LogP0.25
Rot. Bonds3

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

2-[3-methyl-1-(2,2,2-trifluoroacetyl)azetidin-3-yl]oxyacetic acid (PubChem CID 102657501) has the molecular formula C8H10F3NO4 and a molecular weight of 241.16 g/mol. Its IUPAC name is 2-[3-methyl-1-(2,2,2-trifluoroacetyl)azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-(2,2,2-trifluoroacetyl)azetidin-3-yl]oxyacetic acid
PubChem CID102657501
Molecular FormulaC8H10F3NO4
Molecular Weight241.16 g/mol
Exact Mass241.06
IUPAC Name2-[3-methyl-1-(2,2,2-trifluoroacetyl)azetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C8H10F3NO4/c1-7(16-2-5(13)14)3-12(4-7)6(15)8(9,10)11/h2-4H2,1H3,(H,13,14)
InChIKeyFWBVIGMGGPQQAE-UHFFFAOYSA-N
XLogP0.25
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.16
LogP ≤ 50.25
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-(2,2,2-trifluoroacetyl)azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[3-methyl-1-(2,2,2-trifluoroacetyl)azetidin-3-yl]oxyacetic acid (CID 102657501) is 2-[3-methyl-1-(2,2,2-trifluoroacetyl)azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-methyl-1-(2,2,2-trifluoroacetyl)azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[3-methyl-1-(2,2,2-trifluoroacetyl)azetidin-3-yl]oxyacetic acid is CC1(OCC(=O)O)CN(C(=O)C(F)(F)F)C1.
What is the InChIKey of 2-[3-methyl-1-(2,2,2-trifluoroacetyl)azetidin-3-yl]oxyacetic acid?
The InChIKey is FWBVIGMGGPQQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO4/c1-7(16-2-5(13)14)3-12(4-7)6(15)8(9,10)11/h2-4H2,1H3,(H,13,14).
What are the key properties of 2-[3-methyl-1-(2,2,2-trifluoroacetyl)azetidin-3-yl]oxyacetic acid?
2-[3-methyl-1-(2,2,2-trifluoroacetyl)azetidin-3-yl]oxyacetic acid has a molecular weight of 241.16 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-(2,2,2-trifluoroacetyl)azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102657501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).