4,6-difluoro-2,1,3-benzothiadiazole

C6H2F2N2S — CID 53216865

IUPAC4,6-difluoro-2,1,3-benzothiadiazole
SMILESFc1cc(F)c2nsnc2c1
InChIInChI=1S/C6H2F2N2S/c7-3-1-4(8)6-5(2-3)9-11-10-6/h1-2H
InChIKeyGEGUVPYPLOQEHL-UHFFFAOYSA-N
MW172.16 g/mol
LogP1.97
Rot. Bonds

About 4,6-difluoro-2,1,3-benzothiadiazole

4,6-difluoro-2,1,3-benzothiadiazole (PubChem CID 53216865) has the molecular formula C6H2F2N2S and a molecular weight of 172.16 g/mol. Its IUPAC name is 4,6-difluoro-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name4,6-difluoro-2,1,3-benzothiadiazole
PubChem CID53216865
Molecular FormulaC6H2F2N2S
Molecular Weight172.16 g/mol
Exact Mass171.99
IUPAC Name4,6-difluoro-2,1,3-benzothiadiazole
SMILESFc1cc(F)c2nsnc2c1
InChIInChI=1S/C6H2F2N2S/c7-3-1-4(8)6-5(2-3)9-11-10-6/h1-2H
InChIKeyGEGUVPYPLOQEHL-UHFFFAOYSA-N
XLogP1.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-2,1,3-benzothiadiazole?
The IUPAC name of 4,6-difluoro-2,1,3-benzothiadiazole (CID 53216865) is 4,6-difluoro-2,1,3-benzothiadiazole.
What is the SMILES notation for 4,6-difluoro-2,1,3-benzothiadiazole?
The canonical SMILES for 4,6-difluoro-2,1,3-benzothiadiazole is Fc1cc(F)c2nsnc2c1.
What is the InChIKey of 4,6-difluoro-2,1,3-benzothiadiazole?
The InChIKey is GEGUVPYPLOQEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F2N2S/c7-3-1-4(8)6-5(2-3)9-11-10-6/h1-2H.
What are the key properties of 4,6-difluoro-2,1,3-benzothiadiazole?
4,6-difluoro-2,1,3-benzothiadiazole has a molecular weight of 172.16 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-2,1,3-benzothiadiazole is sourced from PubChem (CID 53216865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).