5,6-difluoro-4-methyl-2,1,3-benzothiadiazole

C7H4F2N2S — CID 137399229

IUPAC5,6-difluoro-4-methyl-2,1,3-benzothiadiazole
SMILESCc1c(F)c(F)cc2nsnc12
InChIInChI=1S/C7H4F2N2S/c1-3-6(9)4(8)2-5-7(3)11-12-10-5/h2H,1H3
InChIKeyRGTHEPXTVGOXFL-UHFFFAOYSA-N
MW186.19 g/mol
LogP2.28
Rot. Bonds

About 5,6-difluoro-4-methyl-2,1,3-benzothiadiazole

5,6-difluoro-4-methyl-2,1,3-benzothiadiazole (PubChem CID 137399229) has the molecular formula C7H4F2N2S and a molecular weight of 186.19 g/mol. Its IUPAC name is 5,6-difluoro-4-methyl-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name5,6-difluoro-4-methyl-2,1,3-benzothiadiazole
PubChem CID137399229
Molecular FormulaC7H4F2N2S
Molecular Weight186.19 g/mol
Exact Mass186.01
IUPAC Name5,6-difluoro-4-methyl-2,1,3-benzothiadiazole
SMILESCc1c(F)c(F)cc2nsnc12
InChIInChI=1S/C7H4F2N2S/c1-3-6(9)4(8)2-5-7(3)11-12-10-5/h2H,1H3
InChIKeyRGTHEPXTVGOXFL-UHFFFAOYSA-N
XLogP2.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-4-methyl-2,1,3-benzothiadiazole?
The IUPAC name of 5,6-difluoro-4-methyl-2,1,3-benzothiadiazole (CID 137399229) is 5,6-difluoro-4-methyl-2,1,3-benzothiadiazole.
What is the SMILES notation for 5,6-difluoro-4-methyl-2,1,3-benzothiadiazole?
The canonical SMILES for 5,6-difluoro-4-methyl-2,1,3-benzothiadiazole is Cc1c(F)c(F)cc2nsnc12.
What is the InChIKey of 5,6-difluoro-4-methyl-2,1,3-benzothiadiazole?
The InChIKey is RGTHEPXTVGOXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2N2S/c1-3-6(9)4(8)2-5-7(3)11-12-10-5/h2H,1H3.
What are the key properties of 5,6-difluoro-4-methyl-2,1,3-benzothiadiazole?
5,6-difluoro-4-methyl-2,1,3-benzothiadiazole has a molecular weight of 186.19 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-4-methyl-2,1,3-benzothiadiazole is sourced from PubChem (CID 137399229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).