3-(difluoromethyl)-1,2-benzothiazol-7-ol

C8H5F2NOS — CID 84669886

IUPAC3-(difluoromethyl)-1,2-benzothiazol-7-ol
SMILESOc1cccc2c(C(F)F)nsc12
InChIInChI=1S/C8H5F2NOS/c9-8(10)6-4-2-1-3-5(12)7(4)13-11-6/h1-3,8,12H
InChIKeyHYVUMHUWUBCNTJ-UHFFFAOYSA-N
MW201.20 g/mol
LogP2.94
Rot. Bonds1

About 3-(difluoromethyl)-1,2-benzothiazol-7-ol

3-(difluoromethyl)-1,2-benzothiazol-7-ol (PubChem CID 84669886) has the molecular formula C8H5F2NOS and a molecular weight of 201.20 g/mol. Its IUPAC name is 3-(difluoromethyl)-1,2-benzothiazol-7-ol.

Molecular Properties

Compound Name3-(difluoromethyl)-1,2-benzothiazol-7-ol
PubChem CID84669886
Molecular FormulaC8H5F2NOS
Molecular Weight201.20 g/mol
Exact Mass201.01
IUPAC Name3-(difluoromethyl)-1,2-benzothiazol-7-ol
SMILESOc1cccc2c(C(F)F)nsc12
InChIInChI=1S/C8H5F2NOS/c9-8(10)6-4-2-1-3-5(12)7(4)13-11-6/h1-3,8,12H
InChIKeyHYVUMHUWUBCNTJ-UHFFFAOYSA-N
XLogP2.94
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(difluoromethyl)-1,2-benzothiazol-7-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1,2-benzothiazol-7-ol?
The IUPAC name of 3-(difluoromethyl)-1,2-benzothiazol-7-ol (CID 84669886) is 3-(difluoromethyl)-1,2-benzothiazol-7-ol.
What is the SMILES notation for 3-(difluoromethyl)-1,2-benzothiazol-7-ol?
The canonical SMILES for 3-(difluoromethyl)-1,2-benzothiazol-7-ol is Oc1cccc2c(C(F)F)nsc12.
What is the InChIKey of 3-(difluoromethyl)-1,2-benzothiazol-7-ol?
The InChIKey is HYVUMHUWUBCNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2NOS/c9-8(10)6-4-2-1-3-5(12)7(4)13-11-6/h1-3,8,12H.
What are the key properties of 3-(difluoromethyl)-1,2-benzothiazol-7-ol?
3-(difluoromethyl)-1,2-benzothiazol-7-ol has a molecular weight of 201.20 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1,2-benzothiazol-7-ol is sourced from PubChem (CID 84669886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).