3-fluoro-5-(oxetan-3-yloxymethyl)benzoic acid

C11H11FO4 — CID 102608413

IUPAC3-fluoro-5-(oxetan-3-yloxymethyl)benzoic acid
SMILESO=C(O)c1cc(F)cc(COC2COC2)c1
InChIInChI=1S/C11H11FO4/c12-9-2-7(1-8(3-9)11(13)14)4-16-10-5-15-6-10/h1-3,10H,4-6H2,(H,13,14)
InChIKeyKLNQLMIRUSJGEY-UHFFFAOYSA-N
MW226.20 g/mol
LogP1.44
Rot. Bonds4

About 3-fluoro-5-(oxetan-3-yloxymethyl)benzoic acid

3-fluoro-5-(oxetan-3-yloxymethyl)benzoic acid (PubChem CID 102608413) has the molecular formula C11H11FO4 and a molecular weight of 226.20 g/mol. Its IUPAC name is 3-fluoro-5-(oxetan-3-yloxymethyl)benzoic acid.

Molecular Properties

Compound Name3-fluoro-5-(oxetan-3-yloxymethyl)benzoic acid
PubChem CID102608413
Molecular FormulaC11H11FO4
Molecular Weight226.20 g/mol
Exact Mass226.06
IUPAC Name3-fluoro-5-(oxetan-3-yloxymethyl)benzoic acid
SMILESO=C(O)c1cc(F)cc(COC2COC2)c1
InChIInChI=1S/C11H11FO4/c12-9-2-7(1-8(3-9)11(13)14)4-16-10-5-15-6-10/h1-3,10H,4-6H2,(H,13,14)
InChIKeyKLNQLMIRUSJGEY-UHFFFAOYSA-N
XLogP1.44
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-5-(oxetan-3-yloxymethyl)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 3-fluoro-5-(oxetan-3-yloxymethyl)benzoic acid?
The IUPAC name of 3-fluoro-5-(oxetan-3-yloxymethyl)benzoic acid (CID 102608413) is 3-fluoro-5-(oxetan-3-yloxymethyl)benzoic acid.
What is the SMILES notation for 3-fluoro-5-(oxetan-3-yloxymethyl)benzoic acid?
The canonical SMILES for 3-fluoro-5-(oxetan-3-yloxymethyl)benzoic acid is O=C(O)c1cc(F)cc(COC2COC2)c1.
What is the InChIKey of 3-fluoro-5-(oxetan-3-yloxymethyl)benzoic acid?
The InChIKey is KLNQLMIRUSJGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO4/c12-9-2-7(1-8(3-9)11(13)14)4-16-10-5-15-6-10/h1-3,10H,4-6H2,(H,13,14).
What are the key properties of 3-fluoro-5-(oxetan-3-yloxymethyl)benzoic acid?
3-fluoro-5-(oxetan-3-yloxymethyl)benzoic acid has a molecular weight of 226.20 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(oxetan-3-yloxymethyl)benzoic acid is sourced from PubChem (CID 102608413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).