2-bromo-7-(trifluoromethyl)-1,3-benzothiazole

C8H3BrF3NS — CID 91810913

IUPAC2-bromo-7-(trifluoromethyl)-1,3-benzothiazole
SMILESFC(F)(F)c1cccc2nc(Br)sc12
InChIInChI=1S/C8H3BrF3NS/c9-7-13-5-3-1-2-4(6(5)14-7)8(10,11)12/h1-3H
InChIKeyZFOXPPCBVRWCJC-UHFFFAOYSA-N
MW282.08 g/mol
LogP4.08
Rot. Bonds

About 2-bromo-7-(trifluoromethyl)-1,3-benzothiazole

2-bromo-7-(trifluoromethyl)-1,3-benzothiazole (PubChem CID 91810913) has the molecular formula C8H3BrF3NS and a molecular weight of 282.08 g/mol. Its IUPAC name is 2-bromo-7-(trifluoromethyl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-bromo-7-(trifluoromethyl)-1,3-benzothiazole
PubChem CID91810913
Molecular FormulaC8H3BrF3NS
Molecular Weight282.08 g/mol
Exact Mass280.91
IUPAC Name2-bromo-7-(trifluoromethyl)-1,3-benzothiazole
SMILESFC(F)(F)c1cccc2nc(Br)sc12
InChIInChI=1S/C8H3BrF3NS/c9-7-13-5-3-1-2-4(6(5)14-7)8(10,11)12/h1-3H
InChIKeyZFOXPPCBVRWCJC-UHFFFAOYSA-N
XLogP4.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.08
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Phenylbenzothiazole
CID 13439
2-Bromo-1,3-benzothiazole
CID 612040
3-(1,3-Benzothiazol-2-yl)aniline
CID 720999
Benzothiazole, 2,5-dimethyl-
CID 7227
2-Chloro-6-methylbenzothiazole
CID 2049866
2-Styrylbenzothiazole
CID 6104260
Benzothiazole, 2-methyl-5-(trifluoromethyl)-
CID 67857
2-Benzyl-1,3-benzothiazole
CID 233993
2-(3-Fluorophenyl)-1,3-benzothiazole
CID 242878
2-(4'-Fluorophenyl)-1,3-benzothiazole
CID 242879
2-Chloro-4,7-dimethyl-1,3-benzothiazole
CID 2049879
7-Methyl-1,3-benzothiazol-2-amine
CID 12426380

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-(trifluoromethyl)-1,3-benzothiazole?
The IUPAC name of 2-bromo-7-(trifluoromethyl)-1,3-benzothiazole (CID 91810913) is 2-bromo-7-(trifluoromethyl)-1,3-benzothiazole.
What is the SMILES notation for 2-bromo-7-(trifluoromethyl)-1,3-benzothiazole?
The canonical SMILES for 2-bromo-7-(trifluoromethyl)-1,3-benzothiazole is FC(F)(F)c1cccc2nc(Br)sc12.
What is the InChIKey of 2-bromo-7-(trifluoromethyl)-1,3-benzothiazole?
The InChIKey is ZFOXPPCBVRWCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF3NS/c9-7-13-5-3-1-2-4(6(5)14-7)8(10,11)12/h1-3H.
What are the key properties of 2-bromo-7-(trifluoromethyl)-1,3-benzothiazole?
2-bromo-7-(trifluoromethyl)-1,3-benzothiazole has a molecular weight of 282.08 g/mol, XLogP of 4.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-(trifluoromethyl)-1,3-benzothiazole is sourced from PubChem (CID 91810913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).