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

C10H16F3NO4 — CID 102659436

IUPAC2-[3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]azetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(CCOCC(F)(F)F)C1
InChIInChI=1S/C10H16F3NO4/c1-9(18-4-8(15)16)5-14(6-9)2-3-17-7-10(11,12)13/h2-7H2,1H3,(H,15,16)
InChIKeyAYXAUVHNMFBDCV-UHFFFAOYSA-N
MW271.23 g/mol
LogP0.74
Rot. Bonds7

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

2-[3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]azetidin-3-yl]oxyacetic acid (PubChem CID 102659436) has the molecular formula C10H16F3NO4 and a molecular weight of 271.23 g/mol. Its IUPAC name is 2-[3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]azetidin-3-yl]oxyacetic acid
PubChem CID102659436
Molecular FormulaC10H16F3NO4
Molecular Weight271.23 g/mol
Exact Mass271.10
IUPAC Name2-[3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]azetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(CCOCC(F)(F)F)C1
InChIInChI=1S/C10H16F3NO4/c1-9(18-4-8(15)16)5-14(6-9)2-3-17-7-10(11,12)13/h2-7H2,1H3,(H,15,16)
InChIKeyAYXAUVHNMFBDCV-UHFFFAOYSA-N
XLogP0.74
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]azetidin-3-yl]oxyacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]azetidin-3-yl]oxyacetic acid (CID 102659436) is 2-[3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]azetidin-3-yl]oxyacetic acid is CC1(OCC(=O)O)CN(CCOCC(F)(F)F)C1.
What is the InChIKey of 2-[3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]azetidin-3-yl]oxyacetic acid?
The InChIKey is AYXAUVHNMFBDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO4/c1-9(18-4-8(15)16)5-14(6-9)2-3-17-7-10(11,12)13/h2-7H2,1H3,(H,15,16).
What are the key properties of 2-[3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]azetidin-3-yl]oxyacetic acid?
2-[3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]azetidin-3-yl]oxyacetic acid has a molecular weight of 271.23 g/mol, XLogP of 0.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102659436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).