2-bromo-4-(difluoromethyl)-1,3-benzothiazole

C8H4BrF2NS — CID 141261233

IUPAC2-bromo-4-(difluoromethyl)-1,3-benzothiazole
SMILESFC(F)c1cccc2sc(Br)nc12
InChIInChI=1S/C8H4BrF2NS/c9-8-12-6-4(7(10)11)2-1-3-5(6)13-8/h1-3,7H
InChIKeyCODYTTIBVDIFRI-UHFFFAOYSA-N
MW264.09 g/mol
LogP4.00
Rot. Bonds1

About 2-bromo-4-(difluoromethyl)-1,3-benzothiazole

2-bromo-4-(difluoromethyl)-1,3-benzothiazole (PubChem CID 141261233) has the molecular formula C8H4BrF2NS and a molecular weight of 264.09 g/mol. Its IUPAC name is 2-bromo-4-(difluoromethyl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-bromo-4-(difluoromethyl)-1,3-benzothiazole
PubChem CID141261233
Molecular FormulaC8H4BrF2NS
Molecular Weight264.09 g/mol
Exact Mass262.92
IUPAC Name2-bromo-4-(difluoromethyl)-1,3-benzothiazole
SMILESFC(F)c1cccc2sc(Br)nc12
InChIInChI=1S/C8H4BrF2NS/c9-8-12-6-4(7(10)11)2-1-3-5(6)13-8/h1-3,7H
InChIKeyCODYTTIBVDIFRI-UHFFFAOYSA-N
XLogP4.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.09
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(difluoromethyl)-1,3-benzothiazole?
The IUPAC name of 2-bromo-4-(difluoromethyl)-1,3-benzothiazole (CID 141261233) is 2-bromo-4-(difluoromethyl)-1,3-benzothiazole.
What is the SMILES notation for 2-bromo-4-(difluoromethyl)-1,3-benzothiazole?
The canonical SMILES for 2-bromo-4-(difluoromethyl)-1,3-benzothiazole is FC(F)c1cccc2sc(Br)nc12.
What is the InChIKey of 2-bromo-4-(difluoromethyl)-1,3-benzothiazole?
The InChIKey is CODYTTIBVDIFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF2NS/c9-8-12-6-4(7(10)11)2-1-3-5(6)13-8/h1-3,7H.
What are the key properties of 2-bromo-4-(difluoromethyl)-1,3-benzothiazole?
2-bromo-4-(difluoromethyl)-1,3-benzothiazole has a molecular weight of 264.09 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(difluoromethyl)-1,3-benzothiazole is sourced from PubChem (CID 141261233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).