3-chloro-4-(difluoromethoxy)-1,2-benzothiazole

C8H4ClF2NOS — CID 68867625

IUPAC3-chloro-4-(difluoromethoxy)-1,2-benzothiazole
SMILESFC(F)Oc1cccc2snc(Cl)c12
InChIInChI=1S/C8H4ClF2NOS/c9-7-6-4(13-8(10)11)2-1-3-5(6)14-12-7/h1-3,8H
InChIKeyBJSFTJPBSYPFKS-UHFFFAOYSA-N
MW235.64 g/mol
LogP3.55
Rot. Bonds2

About 3-chloro-4-(difluoromethoxy)-1,2-benzothiazole

3-chloro-4-(difluoromethoxy)-1,2-benzothiazole (PubChem CID 68867625) has the molecular formula C8H4ClF2NOS and a molecular weight of 235.64 g/mol. Its IUPAC name is 3-chloro-4-(difluoromethoxy)-1,2-benzothiazole.

Molecular Properties

Compound Name3-chloro-4-(difluoromethoxy)-1,2-benzothiazole
PubChem CID68867625
Molecular FormulaC8H4ClF2NOS
Molecular Weight235.64 g/mol
Exact Mass234.97
IUPAC Name3-chloro-4-(difluoromethoxy)-1,2-benzothiazole
SMILESFC(F)Oc1cccc2snc(Cl)c12
InChIInChI=1S/C8H4ClF2NOS/c9-7-6-4(13-8(10)11)2-1-3-5(6)14-12-7/h1-3,8H
InChIKeyBJSFTJPBSYPFKS-UHFFFAOYSA-N
XLogP3.55
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.64
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(difluoromethoxy)-1,2-benzothiazole?
The IUPAC name of 3-chloro-4-(difluoromethoxy)-1,2-benzothiazole (CID 68867625) is 3-chloro-4-(difluoromethoxy)-1,2-benzothiazole.
What is the SMILES notation for 3-chloro-4-(difluoromethoxy)-1,2-benzothiazole?
The canonical SMILES for 3-chloro-4-(difluoromethoxy)-1,2-benzothiazole is FC(F)Oc1cccc2snc(Cl)c12.
What is the InChIKey of 3-chloro-4-(difluoromethoxy)-1,2-benzothiazole?
The InChIKey is BJSFTJPBSYPFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF2NOS/c9-7-6-4(13-8(10)11)2-1-3-5(6)14-12-7/h1-3,8H.
What are the key properties of 3-chloro-4-(difluoromethoxy)-1,2-benzothiazole?
3-chloro-4-(difluoromethoxy)-1,2-benzothiazole has a molecular weight of 235.64 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(difluoromethoxy)-1,2-benzothiazole is sourced from PubChem (CID 68867625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).