5-fluoro-2,1,3-benzoxadiazole

C6H3FN2O — CID 22905795

IUPAC5-fluoro-2,1,3-benzoxadiazole
SMILESFc1ccc2nonc2c1
InChIInChI=1S/C6H3FN2O/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H
InChIKeyQHYGTMCIGIHPAN-UHFFFAOYSA-N
MW138.10 g/mol
LogP1.36
Rot. Bonds

About 5-fluoro-2,1,3-benzoxadiazole

5-fluoro-2,1,3-benzoxadiazole (PubChem CID 22905795) has the molecular formula C6H3FN2O and a molecular weight of 138.10 g/mol. Its IUPAC name is 5-fluoro-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name5-fluoro-2,1,3-benzoxadiazole
PubChem CID22905795
Molecular FormulaC6H3FN2O
Molecular Weight138.10 g/mol
Exact Mass138.02
IUPAC Name5-fluoro-2,1,3-benzoxadiazole
SMILESFc1ccc2nonc2c1
InChIInChI=1S/C6H3FN2O/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H
InChIKeyQHYGTMCIGIHPAN-UHFFFAOYSA-N
XLogP1.36
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.10
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-2,1,3-benzoxadiazole 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-2,1,3-benzoxadiazole?
The IUPAC name of 5-fluoro-2,1,3-benzoxadiazole (CID 22905795) is 5-fluoro-2,1,3-benzoxadiazole.
What is the SMILES notation for 5-fluoro-2,1,3-benzoxadiazole?
The canonical SMILES for 5-fluoro-2,1,3-benzoxadiazole is Fc1ccc2nonc2c1.
What is the InChIKey of 5-fluoro-2,1,3-benzoxadiazole?
The InChIKey is QHYGTMCIGIHPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3FN2O/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H.
What are the key properties of 5-fluoro-2,1,3-benzoxadiazole?
5-fluoro-2,1,3-benzoxadiazole has a molecular weight of 138.10 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,1,3-benzoxadiazole is sourced from PubChem (CID 22905795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).