3-chloro-5,6-difluoro-1,2-benzothiazole

C7H2ClF2NS — CID 165472697

IUPAC3-chloro-5,6-difluoro-1,2-benzothiazole
SMILESFc1cc2snc(Cl)c2cc1F
InChIInChI=1S/C7H2ClF2NS/c8-7-3-1-4(9)5(10)2-6(3)12-11-7/h1-2H
InChIKeyFLPLWURVMASBJU-UHFFFAOYSA-N
MW205.62 g/mol
LogP3.23
Rot. Bonds

About 3-chloro-5,6-difluoro-1,2-benzothiazole

3-chloro-5,6-difluoro-1,2-benzothiazole (PubChem CID 165472697) has the molecular formula C7H2ClF2NS and a molecular weight of 205.62 g/mol. Its IUPAC name is 3-chloro-5,6-difluoro-1,2-benzothiazole.

Molecular Properties

Compound Name3-chloro-5,6-difluoro-1,2-benzothiazole
PubChem CID165472697
Molecular FormulaC7H2ClF2NS
Molecular Weight205.62 g/mol
Exact Mass204.96
IUPAC Name3-chloro-5,6-difluoro-1,2-benzothiazole
SMILESFc1cc2snc(Cl)c2cc1F
InChIInChI=1S/C7H2ClF2NS/c8-7-3-1-4(9)5(10)2-6(3)12-11-7/h1-2H
InChIKeyFLPLWURVMASBJU-UHFFFAOYSA-N
XLogP3.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.62
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5,6-difluoro-1,2-benzothiazole?
The IUPAC name of 3-chloro-5,6-difluoro-1,2-benzothiazole (CID 165472697) is 3-chloro-5,6-difluoro-1,2-benzothiazole.
What is the SMILES notation for 3-chloro-5,6-difluoro-1,2-benzothiazole?
The canonical SMILES for 3-chloro-5,6-difluoro-1,2-benzothiazole is Fc1cc2snc(Cl)c2cc1F.
What is the InChIKey of 3-chloro-5,6-difluoro-1,2-benzothiazole?
The InChIKey is FLPLWURVMASBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF2NS/c8-7-3-1-4(9)5(10)2-6(3)12-11-7/h1-2H.
What are the key properties of 3-chloro-5,6-difluoro-1,2-benzothiazole?
3-chloro-5,6-difluoro-1,2-benzothiazole has a molecular weight of 205.62 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5,6-difluoro-1,2-benzothiazole is sourced from PubChem (CID 165472697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).