6-bromo-7-fluoro-1,3-benzoxazole

C7H3BrFNO — CID 122235305

IUPAC6-bromo-7-fluoro-1,3-benzoxazole
SMILESFc1c(Br)ccc2ncoc12
InChIInChI=1S/C7H3BrFNO/c8-4-1-2-5-7(6(4)9)11-3-10-5/h1-3H
InChIKeyATIKHEOQJQVHEN-UHFFFAOYSA-N
MW216.01 g/mol
LogP2.73
Rot. Bonds

About 6-bromo-7-fluoro-1,3-benzoxazole

6-bromo-7-fluoro-1,3-benzoxazole (PubChem CID 122235305) has the molecular formula C7H3BrFNO and a molecular weight of 216.01 g/mol. Its IUPAC name is 6-bromo-7-fluoro-1,3-benzoxazole.

Molecular Properties

Compound Name6-bromo-7-fluoro-1,3-benzoxazole
PubChem CID122235305
Molecular FormulaC7H3BrFNO
Molecular Weight216.01 g/mol
Exact Mass214.94
IUPAC Name6-bromo-7-fluoro-1,3-benzoxazole
SMILESFc1c(Br)ccc2ncoc12
InChIInChI=1S/C7H3BrFNO/c8-4-1-2-5-7(6(4)9)11-3-10-5/h1-3H
InChIKeyATIKHEOQJQVHEN-UHFFFAOYSA-N
XLogP2.73
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.01
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-bromo-7-fluoro-1,3-benzoxazole 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 6-bromo-7-fluoro-1,3-benzoxazole?
The IUPAC name of 6-bromo-7-fluoro-1,3-benzoxazole (CID 122235305) is 6-bromo-7-fluoro-1,3-benzoxazole.
What is the SMILES notation for 6-bromo-7-fluoro-1,3-benzoxazole?
The canonical SMILES for 6-bromo-7-fluoro-1,3-benzoxazole is Fc1c(Br)ccc2ncoc12.
What is the InChIKey of 6-bromo-7-fluoro-1,3-benzoxazole?
The InChIKey is ATIKHEOQJQVHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrFNO/c8-4-1-2-5-7(6(4)9)11-3-10-5/h1-3H.
What are the key properties of 6-bromo-7-fluoro-1,3-benzoxazole?
6-bromo-7-fluoro-1,3-benzoxazole has a molecular weight of 216.01 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-fluoro-1,3-benzoxazole is sourced from PubChem (CID 122235305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).