2-(difluoromethyl)-7-methoxy-1,3-benzothiazole

C9H7F2NOS — CID 118837468

IUPAC2-(difluoromethyl)-7-methoxy-1,3-benzothiazole
SMILESCOc1cccc2nc(C(F)F)sc12
InChIInChI=1S/C9H7F2NOS/c1-13-6-4-2-3-5-7(6)14-9(12-5)8(10)11/h2-4,8H,1H3
InChIKeyFVTVKJOUFDNAAZ-UHFFFAOYSA-N
MW215.22 g/mol
LogP3.24
Rot. Bonds2

About 2-(difluoromethyl)-7-methoxy-1,3-benzothiazole

2-(difluoromethyl)-7-methoxy-1,3-benzothiazole (PubChem CID 118837468) has the molecular formula C9H7F2NOS and a molecular weight of 215.22 g/mol. Its IUPAC name is 2-(difluoromethyl)-7-methoxy-1,3-benzothiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-7-methoxy-1,3-benzothiazole
PubChem CID118837468
Molecular FormulaC9H7F2NOS
Molecular Weight215.22 g/mol
Exact Mass215.02
IUPAC Name2-(difluoromethyl)-7-methoxy-1,3-benzothiazole
SMILESCOc1cccc2nc(C(F)F)sc12
InChIInChI=1S/C9H7F2NOS/c1-13-6-4-2-3-5-7(6)14-9(12-5)8(10)11/h2-4,8H,1H3
InChIKeyFVTVKJOUFDNAAZ-UHFFFAOYSA-N
XLogP3.24
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-7-methoxy-1,3-benzothiazole?
The IUPAC name of 2-(difluoromethyl)-7-methoxy-1,3-benzothiazole (CID 118837468) is 2-(difluoromethyl)-7-methoxy-1,3-benzothiazole.
What is the SMILES notation for 2-(difluoromethyl)-7-methoxy-1,3-benzothiazole?
The canonical SMILES for 2-(difluoromethyl)-7-methoxy-1,3-benzothiazole is COc1cccc2nc(C(F)F)sc12.
What is the InChIKey of 2-(difluoromethyl)-7-methoxy-1,3-benzothiazole?
The InChIKey is FVTVKJOUFDNAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2NOS/c1-13-6-4-2-3-5-7(6)14-9(12-5)8(10)11/h2-4,8H,1H3.
What are the key properties of 2-(difluoromethyl)-7-methoxy-1,3-benzothiazole?
2-(difluoromethyl)-7-methoxy-1,3-benzothiazole has a molecular weight of 215.22 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-7-methoxy-1,3-benzothiazole is sourced from PubChem (CID 118837468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).