6-(trifluoromethoxy)-1,2-benzothiazole

C8H4F3NOS — CID 121231921

IUPAC6-(trifluoromethoxy)-1,2-benzothiazole
SMILESFC(F)(F)Oc1ccc2cnsc2c1
InChIInChI=1S/C8H4F3NOS/c9-8(10,11)13-6-2-1-5-4-12-14-7(5)3-6/h1-4H
InChIKeyHBQPLPSIEPWYKV-UHFFFAOYSA-N
MW219.19 g/mol
LogP3.19
Rot. Bonds1

About 6-(trifluoromethoxy)-1,2-benzothiazole

6-(trifluoromethoxy)-1,2-benzothiazole (PubChem CID 121231921) has the molecular formula C8H4F3NOS and a molecular weight of 219.19 g/mol. Its IUPAC name is 6-(trifluoromethoxy)-1,2-benzothiazole.

Molecular Properties

Compound Name6-(trifluoromethoxy)-1,2-benzothiazole
PubChem CID121231921
Molecular FormulaC8H4F3NOS
Molecular Weight219.19 g/mol
Exact Mass219.00
IUPAC Name6-(trifluoromethoxy)-1,2-benzothiazole
SMILESFC(F)(F)Oc1ccc2cnsc2c1
InChIInChI=1S/C8H4F3NOS/c9-8(10,11)13-6-2-1-5-4-12-14-7(5)3-6/h1-4H
InChIKeyHBQPLPSIEPWYKV-UHFFFAOYSA-N
XLogP3.19
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethoxy)-1,2-benzothiazole?
The IUPAC name of 6-(trifluoromethoxy)-1,2-benzothiazole (CID 121231921) is 6-(trifluoromethoxy)-1,2-benzothiazole.
What is the SMILES notation for 6-(trifluoromethoxy)-1,2-benzothiazole?
The canonical SMILES for 6-(trifluoromethoxy)-1,2-benzothiazole is FC(F)(F)Oc1ccc2cnsc2c1.
What is the InChIKey of 6-(trifluoromethoxy)-1,2-benzothiazole?
The InChIKey is HBQPLPSIEPWYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3NOS/c9-8(10,11)13-6-2-1-5-4-12-14-7(5)3-6/h1-4H.
What are the key properties of 6-(trifluoromethoxy)-1,2-benzothiazole?
6-(trifluoromethoxy)-1,2-benzothiazole has a molecular weight of 219.19 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethoxy)-1,2-benzothiazole is sourced from PubChem (CID 121231921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).