7-(difluoromethoxy)-1,2-benzothiazole

C8H5F2NOS — CID 19384355

IUPAC7-(difluoromethoxy)-1,2-benzothiazole
SMILESFC(F)Oc1cccc2cnsc12
InChIInChI=1S/C8H5F2NOS/c9-8(10)12-6-3-1-2-5-4-11-13-7(5)6/h1-4,8H
InChIKeyIZJYFVGCYACGQE-UHFFFAOYSA-N
MW201.20 g/mol
LogP2.90
Rot. Bonds2

About 7-(difluoromethoxy)-1,2-benzothiazole

7-(difluoromethoxy)-1,2-benzothiazole (PubChem CID 19384355) has the molecular formula C8H5F2NOS and a molecular weight of 201.20 g/mol. Its IUPAC name is 7-(difluoromethoxy)-1,2-benzothiazole.

Molecular Properties

Compound Name7-(difluoromethoxy)-1,2-benzothiazole
PubChem CID19384355
Molecular FormulaC8H5F2NOS
Molecular Weight201.20 g/mol
Exact Mass201.01
IUPAC Name7-(difluoromethoxy)-1,2-benzothiazole
SMILESFC(F)Oc1cccc2cnsc12
InChIInChI=1S/C8H5F2NOS/c9-8(10)12-6-3-1-2-5-4-11-13-7(5)6/h1-4,8H
InChIKeyIZJYFVGCYACGQE-UHFFFAOYSA-N
XLogP2.90
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethoxy)-1,2-benzothiazole?
The IUPAC name of 7-(difluoromethoxy)-1,2-benzothiazole (CID 19384355) is 7-(difluoromethoxy)-1,2-benzothiazole.
What is the SMILES notation for 7-(difluoromethoxy)-1,2-benzothiazole?
The canonical SMILES for 7-(difluoromethoxy)-1,2-benzothiazole is FC(F)Oc1cccc2cnsc12.
What is the InChIKey of 7-(difluoromethoxy)-1,2-benzothiazole?
The InChIKey is IZJYFVGCYACGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2NOS/c9-8(10)12-6-3-1-2-5-4-11-13-7(5)6/h1-4,8H.
What are the key properties of 7-(difluoromethoxy)-1,2-benzothiazole?
7-(difluoromethoxy)-1,2-benzothiazole has a molecular weight of 201.20 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethoxy)-1,2-benzothiazole is sourced from PubChem (CID 19384355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).