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

C7H10F3NO3 — CID 175533813

IUPAC2-[1-(1,2,2-trifluoroethyl)azetidin-3-yl]oxyacetic acid
SMILESO=C(O)COC1CN(C(F)C(F)F)C1
InChIInChI=1S/C7H10F3NO3/c8-6(9)7(10)11-1-4(2-11)14-3-5(12)13/h4,6-7H,1-3H2,(H,12,13)
InChIKeyWGQVIWQHXRHUJK-UHFFFAOYSA-N
MW213.15 g/mol
LogP0.33
Rot. Bonds5

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

2-[1-(1,2,2-trifluoroethyl)azetidin-3-yl]oxyacetic acid (PubChem CID 175533813) has the molecular formula C7H10F3NO3 and a molecular weight of 213.15 g/mol. Its IUPAC name is 2-[1-(1,2,2-trifluoroethyl)azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(1,2,2-trifluoroethyl)azetidin-3-yl]oxyacetic acid
PubChem CID175533813
Molecular FormulaC7H10F3NO3
Molecular Weight213.15 g/mol
Exact Mass213.06
IUPAC Name2-[1-(1,2,2-trifluoroethyl)azetidin-3-yl]oxyacetic acid
SMILESO=C(O)COC1CN(C(F)C(F)F)C1
InChIInChI=1S/C7H10F3NO3/c8-6(9)7(10)11-1-4(2-11)14-3-5(12)13/h4,6-7H,1-3H2,(H,12,13)
InChIKeyWGQVIWQHXRHUJK-UHFFFAOYSA-N
XLogP0.33
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,2,2-trifluoroethyl)azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-(1,2,2-trifluoroethyl)azetidin-3-yl]oxyacetic acid (CID 175533813) is 2-[1-(1,2,2-trifluoroethyl)azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(1,2,2-trifluoroethyl)azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(1,2,2-trifluoroethyl)azetidin-3-yl]oxyacetic acid is O=C(O)COC1CN(C(F)C(F)F)C1.
What is the InChIKey of 2-[1-(1,2,2-trifluoroethyl)azetidin-3-yl]oxyacetic acid?
The InChIKey is WGQVIWQHXRHUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO3/c8-6(9)7(10)11-1-4(2-11)14-3-5(12)13/h4,6-7H,1-3H2,(H,12,13).
What are the key properties of 2-[1-(1,2,2-trifluoroethyl)azetidin-3-yl]oxyacetic acid?
2-[1-(1,2,2-trifluoroethyl)azetidin-3-yl]oxyacetic acid has a molecular weight of 213.15 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,2,2-trifluoroethyl)azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 175533813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).