5-fluoro-1-hydroxy-6-thiophen-3-yl-3H-2,1-benzoxaborole

C11H8BFO2S — CID 140829462

IUPAC5-fluoro-1-hydroxy-6-thiophen-3-yl-3H-2,1-benzoxaborole
SMILESOB1OCc2cc(F)c(-c3ccsc3)cc21
InChIInChI=1S/C11H8BFO2S/c13-11-3-8-5-15-12(14)10(8)4-9(11)7-1-2-16-6-7/h1-4,6,14H,5H2
InChIKeyWEJBQMHVHHPGNF-UHFFFAOYSA-N
MW234.06 g/mol
LogP1.77
Rot. Bonds1

About 5-fluoro-1-hydroxy-6-thiophen-3-yl-3H-2,1-benzoxaborole

5-fluoro-1-hydroxy-6-thiophen-3-yl-3H-2,1-benzoxaborole (PubChem CID 140829462) has the molecular formula C11H8BFO2S and a molecular weight of 234.06 g/mol. Its IUPAC name is 5-fluoro-1-hydroxy-6-thiophen-3-yl-3H-2,1-benzoxaborole.

Molecular Properties

Compound Name5-fluoro-1-hydroxy-6-thiophen-3-yl-3H-2,1-benzoxaborole
PubChem CID140829462
Molecular FormulaC11H8BFO2S
Molecular Weight234.06 g/mol
Exact Mass234.03
IUPAC Name5-fluoro-1-hydroxy-6-thiophen-3-yl-3H-2,1-benzoxaborole
SMILESOB1OCc2cc(F)c(-c3ccsc3)cc21
InChIInChI=1S/C11H8BFO2S/c13-11-3-8-5-15-12(14)10(8)4-9(11)7-1-2-16-6-7/h1-4,6,14H,5H2
InChIKeyWEJBQMHVHHPGNF-UHFFFAOYSA-N
XLogP1.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.06
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-fluoro-1-hydroxy-6-thiophen-3-yl-3H-2,1-benzoxaborole 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 5-fluoro-1-hydroxy-6-thiophen-3-yl-3H-2,1-benzoxaborole?
The IUPAC name of 5-fluoro-1-hydroxy-6-thiophen-3-yl-3H-2,1-benzoxaborole (CID 140829462) is 5-fluoro-1-hydroxy-6-thiophen-3-yl-3H-2,1-benzoxaborole.
What is the SMILES notation for 5-fluoro-1-hydroxy-6-thiophen-3-yl-3H-2,1-benzoxaborole?
The canonical SMILES for 5-fluoro-1-hydroxy-6-thiophen-3-yl-3H-2,1-benzoxaborole is OB1OCc2cc(F)c(-c3ccsc3)cc21.
What is the InChIKey of 5-fluoro-1-hydroxy-6-thiophen-3-yl-3H-2,1-benzoxaborole?
The InChIKey is WEJBQMHVHHPGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BFO2S/c13-11-3-8-5-15-12(14)10(8)4-9(11)7-1-2-16-6-7/h1-4,6,14H,5H2.
What are the key properties of 5-fluoro-1-hydroxy-6-thiophen-3-yl-3H-2,1-benzoxaborole?
5-fluoro-1-hydroxy-6-thiophen-3-yl-3H-2,1-benzoxaborole has a molecular weight of 234.06 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-hydroxy-6-thiophen-3-yl-3H-2,1-benzoxaborole is sourced from PubChem (CID 140829462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).