2-(azetidin-3-yloxy)-4-[2-(trifluoromethyl)phenyl]benzoic acid

C17H14F3NO3 — CID 67343477

IUPAC2-(azetidin-3-yloxy)-4-[2-(trifluoromethyl)phenyl]benzoic acid
SMILESO=C(O)c1ccc(-c2ccccc2C(F)(F)F)cc1OC1CNC1
InChIInChI=1S/C17H14F3NO3/c18-17(19,20)14-4-2-1-3-12(14)10-5-6-13(16(22)23)15(7-10)24-11-8-21-9-11/h1-7,11,21H,8-9H2,(H,22,23)
InChIKeyBUNARFRLCHZMTC-UHFFFAOYSA-N
MW337.30 g/mol
LogP3.42
Rot. Bonds4

About 2-(azetidin-3-yloxy)-4-[2-(trifluoromethyl)phenyl]benzoic acid

2-(azetidin-3-yloxy)-4-[2-(trifluoromethyl)phenyl]benzoic acid (PubChem CID 67343477) has the molecular formula C17H14F3NO3 and a molecular weight of 337.30 g/mol. Its IUPAC name is 2-(azetidin-3-yloxy)-4-[2-(trifluoromethyl)phenyl]benzoic acid.

Molecular Properties

Compound Name2-(azetidin-3-yloxy)-4-[2-(trifluoromethyl)phenyl]benzoic acid
PubChem CID67343477
Molecular FormulaC17H14F3NO3
Molecular Weight337.30 g/mol
Exact Mass337.09
IUPAC Name2-(azetidin-3-yloxy)-4-[2-(trifluoromethyl)phenyl]benzoic acid
SMILESO=C(O)c1ccc(-c2ccccc2C(F)(F)F)cc1OC1CNC1
InChIInChI=1S/C17H14F3NO3/c18-17(19,20)14-4-2-1-3-12(14)10-5-6-13(16(22)23)15(7-10)24-11-8-21-9-11/h1-7,11,21H,8-9H2,(H,22,23)
InChIKeyBUNARFRLCHZMTC-UHFFFAOYSA-N
XLogP3.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(azetidin-3-yloxy)-4-[2-(trifluoromethyl)phenyl]benzoic 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-(azetidin-3-yloxy)-4-[2-(trifluoromethyl)phenyl]benzoic acid?
The IUPAC name of 2-(azetidin-3-yloxy)-4-[2-(trifluoromethyl)phenyl]benzoic acid (CID 67343477) is 2-(azetidin-3-yloxy)-4-[2-(trifluoromethyl)phenyl]benzoic acid.
What is the SMILES notation for 2-(azetidin-3-yloxy)-4-[2-(trifluoromethyl)phenyl]benzoic acid?
The canonical SMILES for 2-(azetidin-3-yloxy)-4-[2-(trifluoromethyl)phenyl]benzoic acid is O=C(O)c1ccc(-c2ccccc2C(F)(F)F)cc1OC1CNC1.
What is the InChIKey of 2-(azetidin-3-yloxy)-4-[2-(trifluoromethyl)phenyl]benzoic acid?
The InChIKey is BUNARFRLCHZMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO3/c18-17(19,20)14-4-2-1-3-12(14)10-5-6-13(16(22)23)15(7-10)24-11-8-21-9-11/h1-7,11,21H,8-9H2,(H,22,23).
What are the key properties of 2-(azetidin-3-yloxy)-4-[2-(trifluoromethyl)phenyl]benzoic acid?
2-(azetidin-3-yloxy)-4-[2-(trifluoromethyl)phenyl]benzoic acid has a molecular weight of 337.30 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yloxy)-4-[2-(trifluoromethyl)phenyl]benzoic acid is sourced from PubChem (CID 67343477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).