7-(trifluoromethyl)-1,3-benzothiazole

C8H4F3NS — CID 23323202

IUPAC7-(trifluoromethyl)-1,3-benzothiazole
SMILESFC(F)(F)c1cccc2ncsc12
InChIInChI=1S/C8H4F3NS/c9-8(10,11)5-2-1-3-6-7(5)13-4-12-6/h1-4H
InChIKeyCLUVQFNKTOCLAJ-UHFFFAOYSA-N
MW203.19 g/mol
LogP3.32
Rot. Bonds

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

7-(trifluoromethyl)-1,3-benzothiazole (PubChem CID 23323202) has the molecular formula C8H4F3NS and a molecular weight of 203.19 g/mol. Its IUPAC name is 7-(trifluoromethyl)-1,3-benzothiazole.

Molecular Properties

Compound Name7-(trifluoromethyl)-1,3-benzothiazole
PubChem CID23323202
Molecular FormulaC8H4F3NS
Molecular Weight203.19 g/mol
Exact Mass203.00
IUPAC Name7-(trifluoromethyl)-1,3-benzothiazole
SMILESFC(F)(F)c1cccc2ncsc12
InChIInChI=1S/C8H4F3NS/c9-8(10,11)5-2-1-3-6-7(5)13-4-12-6/h1-4H
InChIKeyCLUVQFNKTOCLAJ-UHFFFAOYSA-N
XLogP3.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-1,3-benzothiazole?
The IUPAC name of 7-(trifluoromethyl)-1,3-benzothiazole (CID 23323202) is 7-(trifluoromethyl)-1,3-benzothiazole.
What is the SMILES notation for 7-(trifluoromethyl)-1,3-benzothiazole?
The canonical SMILES for 7-(trifluoromethyl)-1,3-benzothiazole is FC(F)(F)c1cccc2ncsc12.
What is the InChIKey of 7-(trifluoromethyl)-1,3-benzothiazole?
The InChIKey is CLUVQFNKTOCLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3NS/c9-8(10,11)5-2-1-3-6-7(5)13-4-12-6/h1-4H.
What are the key properties of 7-(trifluoromethyl)-1,3-benzothiazole?
7-(trifluoromethyl)-1,3-benzothiazole has a molecular weight of 203.19 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-1,3-benzothiazole is sourced from PubChem (CID 23323202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).