5-(difluoromethoxy)-1,2-benzothiazole

C8H5F2NOS — CID 121231922

IUPAC5-(difluoromethoxy)-1,2-benzothiazole
SMILESFC(F)Oc1ccc2sncc2c1
InChIInChI=1S/C8H5F2NOS/c9-8(10)12-6-1-2-7-5(3-6)4-11-13-7/h1-4,8H
InChIKeyDIIPKTGZBHANRJ-UHFFFAOYSA-N
MW201.20 g/mol
LogP2.90
Rot. Bonds2

About 5-(difluoromethoxy)-1,2-benzothiazole

5-(difluoromethoxy)-1,2-benzothiazole (PubChem CID 121231922) has the molecular formula C8H5F2NOS and a molecular weight of 201.20 g/mol. Its IUPAC name is 5-(difluoromethoxy)-1,2-benzothiazole.

Molecular Properties

Compound Name5-(difluoromethoxy)-1,2-benzothiazole
PubChem CID121231922
Molecular FormulaC8H5F2NOS
Molecular Weight201.20 g/mol
Exact Mass201.01
IUPAC Name5-(difluoromethoxy)-1,2-benzothiazole
SMILESFC(F)Oc1ccc2sncc2c1
InChIInChI=1S/C8H5F2NOS/c9-8(10)12-6-1-2-7-5(3-6)4-11-13-7/h1-4,8H
InChIKeyDIIPKTGZBHANRJ-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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Related Compounds

1,2-Benzothiazol-5-ol
CID 12609214
3-Methoxy-1,2-benzisothiazole
CID 38736
5,6-Dimethoxy-benzo[d]isothiazole
CID 13270220
5-(Oxiranylmethoxy)-1,2-benzisothiazole
CID 198579
7-(Oxiranylmethoxy)-1,2-benzisothiazole
CID 198765
5-Methoxy-3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazole
CID 146163285
5-Methoxy-3-methylbenzo[d]isothiazole
CID 12607085
7-Methoxybenzo[d]isothiazole
CID 13123247
Benzenamine, 4-(1,2-benzisothiazol-5-yloxy)-3-(trifluoromethyl)-
CID 13269402
7-(Difluoromethoxy)benzo[d]isothiazole
CID 19384355
1,2-Benzisothiazole, 5-[4-isocyanato-2-(trifluoromethyl)phenoxy]-
CID 23320449
7-Fluoro-4-methoxy-1,2-benzothiazole
CID 57485130

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-1,2-benzothiazole?
The IUPAC name of 5-(difluoromethoxy)-1,2-benzothiazole (CID 121231922) is 5-(difluoromethoxy)-1,2-benzothiazole.
What is the SMILES notation for 5-(difluoromethoxy)-1,2-benzothiazole?
The canonical SMILES for 5-(difluoromethoxy)-1,2-benzothiazole is FC(F)Oc1ccc2sncc2c1.
What is the InChIKey of 5-(difluoromethoxy)-1,2-benzothiazole?
The InChIKey is DIIPKTGZBHANRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2NOS/c9-8(10)12-6-1-2-7-5(3-6)4-11-13-7/h1-4,8H.
What are the key properties of 5-(difluoromethoxy)-1,2-benzothiazole?
5-(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 5-(difluoromethoxy)-1,2-benzothiazole is sourced from PubChem (CID 121231922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).