6-(difluoromethoxy)-1,2-benzothiazole

C8H5F2NOS — CID 121231923

IUPAC6-(difluoromethoxy)-1,2-benzothiazole
SMILESFC(F)Oc1ccc2cnsc2c1
InChIInChI=1S/C8H5F2NOS/c9-8(10)12-6-2-1-5-4-11-13-7(5)3-6/h1-4,8H
InChIKeyMVFIORFWFNLYRP-UHFFFAOYSA-N
MW201.20 g/mol
LogP2.90
Rot. Bonds2

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

6-(difluoromethoxy)-1,2-benzothiazole (PubChem CID 121231923) has the molecular formula C8H5F2NOS and a molecular weight of 201.20 g/mol. Its IUPAC name is 6-(difluoromethoxy)-1,2-benzothiazole.

Molecular Properties

Compound Name6-(difluoromethoxy)-1,2-benzothiazole
PubChem CID121231923
Molecular FormulaC8H5F2NOS
Molecular Weight201.20 g/mol
Exact Mass201.01
IUPAC Name6-(difluoromethoxy)-1,2-benzothiazole
SMILESFC(F)Oc1ccc2cnsc2c1
InChIInChI=1S/C8H5F2NOS/c9-8(10)12-6-2-1-5-4-11-13-7(5)3-6/h1-4,8H
InChIKeyMVFIORFWFNLYRP-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 6-(difluoromethoxy)-1,2-benzothiazole?
The IUPAC name of 6-(difluoromethoxy)-1,2-benzothiazole (CID 121231923) is 6-(difluoromethoxy)-1,2-benzothiazole.
What is the SMILES notation for 6-(difluoromethoxy)-1,2-benzothiazole?
The canonical SMILES for 6-(difluoromethoxy)-1,2-benzothiazole is FC(F)Oc1ccc2cnsc2c1.
What is the InChIKey of 6-(difluoromethoxy)-1,2-benzothiazole?
The InChIKey is MVFIORFWFNLYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2NOS/c9-8(10)12-6-2-1-5-4-11-13-7(5)3-6/h1-4,8H.
What are the key properties of 6-(difluoromethoxy)-1,2-benzothiazole?
6-(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 6-(difluoromethoxy)-1,2-benzothiazole is sourced from PubChem (CID 121231923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).