4-(difluoromethoxy)-1,2-benzothiazole

C8H5F2NOS — CID 76538253

IUPAC4-(difluoromethoxy)-1,2-benzothiazole
SMILESFC(F)Oc1cccc2sncc12
InChIInChI=1S/C8H5F2NOS/c9-8(10)12-6-2-1-3-7-5(6)4-11-13-7/h1-4,8H
InChIKeyZHBOZAOGPPBEIH-UHFFFAOYSA-N
MW201.20 g/mol
LogP2.90
Rot. Bonds2

About 4-(difluoromethoxy)-1,2-benzothiazole

4-(difluoromethoxy)-1,2-benzothiazole (PubChem CID 76538253) has the molecular formula C8H5F2NOS and a molecular weight of 201.20 g/mol. Its IUPAC name is 4-(difluoromethoxy)-1,2-benzothiazole.

Molecular Properties

Compound Name4-(difluoromethoxy)-1,2-benzothiazole
PubChem CID76538253
Molecular FormulaC8H5F2NOS
Molecular Weight201.20 g/mol
Exact Mass201.01
IUPAC Name4-(difluoromethoxy)-1,2-benzothiazole
SMILESFC(F)Oc1cccc2sncc12
InChIInChI=1S/C8H5F2NOS/c9-8(10)12-6-2-1-3-7-5(6)4-11-13-7/h1-4,8H
InChIKeyZHBOZAOGPPBEIH-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 4-(difluoromethoxy)-1,2-benzothiazole?
The IUPAC name of 4-(difluoromethoxy)-1,2-benzothiazole (CID 76538253) is 4-(difluoromethoxy)-1,2-benzothiazole.
What is the SMILES notation for 4-(difluoromethoxy)-1,2-benzothiazole?
The canonical SMILES for 4-(difluoromethoxy)-1,2-benzothiazole is FC(F)Oc1cccc2sncc12.
What is the InChIKey of 4-(difluoromethoxy)-1,2-benzothiazole?
The InChIKey is ZHBOZAOGPPBEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2NOS/c9-8(10)12-6-2-1-3-7-5(6)4-11-13-7/h1-4,8H.
What are the key properties of 4-(difluoromethoxy)-1,2-benzothiazole?
4-(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 4-(difluoromethoxy)-1,2-benzothiazole is sourced from PubChem (CID 76538253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).