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

C11H8BFOS — CID 11845936

IUPAC5-fluoro-1-thiophen-3-yl-3H-2,1-benzoxaborole
SMILESFc1ccc2c(c1)COB2c1ccsc1
InChIInChI=1S/C11H8BFOS/c13-10-1-2-11-8(5-10)6-14-12(11)9-3-4-15-7-9/h1-5,7H,6H2
InChIKeyOQJROQXWZUPXKR-UHFFFAOYSA-N
MW218.06 g/mol
LogP1.52
Rot. Bonds1

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

5-fluoro-1-thiophen-3-yl-3H-2,1-benzoxaborole (PubChem CID 11845936) has the molecular formula C11H8BFOS and a molecular weight of 218.06 g/mol. Its IUPAC name is 5-fluoro-1-thiophen-3-yl-3H-2,1-benzoxaborole.

Molecular Properties

Compound Name5-fluoro-1-thiophen-3-yl-3H-2,1-benzoxaborole
PubChem CID11845936
Molecular FormulaC11H8BFOS
Molecular Weight218.06 g/mol
Exact Mass218.04
IUPAC Name5-fluoro-1-thiophen-3-yl-3H-2,1-benzoxaborole
SMILESFc1ccc2c(c1)COB2c1ccsc1
InChIInChI=1S/C11H8BFOS/c13-10-1-2-11-8(5-10)6-14-12(11)9-3-4-15-7-9/h1-5,7H,6H2
InChIKeyOQJROQXWZUPXKR-UHFFFAOYSA-N
XLogP1.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.06
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-thiophen-3-yl-3H-2,1-benzoxaborole?
The IUPAC name of 5-fluoro-1-thiophen-3-yl-3H-2,1-benzoxaborole (CID 11845936) is 5-fluoro-1-thiophen-3-yl-3H-2,1-benzoxaborole.
What is the SMILES notation for 5-fluoro-1-thiophen-3-yl-3H-2,1-benzoxaborole?
The canonical SMILES for 5-fluoro-1-thiophen-3-yl-3H-2,1-benzoxaborole is Fc1ccc2c(c1)COB2c1ccsc1.
What is the InChIKey of 5-fluoro-1-thiophen-3-yl-3H-2,1-benzoxaborole?
The InChIKey is OQJROQXWZUPXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BFOS/c13-10-1-2-11-8(5-10)6-14-12(11)9-3-4-15-7-9/h1-5,7H,6H2.
What are the key properties of 5-fluoro-1-thiophen-3-yl-3H-2,1-benzoxaborole?
5-fluoro-1-thiophen-3-yl-3H-2,1-benzoxaborole has a molecular weight of 218.06 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-thiophen-3-yl-3H-2,1-benzoxaborole is sourced from PubChem (CID 11845936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).