2-(2-chloro-6-fluorophenyl)-6-fluoro-1,3-benzothiazole

C13H6ClF2NS — CID 102236316

IUPAC2-(2-chloro-6-fluorophenyl)-6-fluoro-1,3-benzothiazole
SMILESFc1ccc2nc(-c3c(F)cccc3Cl)sc2c1
InChIInChI=1S/C13H6ClF2NS/c14-8-2-1-3-9(16)12(8)13-17-10-5-4-7(15)6-11(10)18-13/h1-6H
InChIKeyPDTRXWHFSMFRPI-UHFFFAOYSA-N
MW281.71 g/mol
LogP4.89
Rot. Bonds1

About 2-(2-chloro-6-fluorophenyl)-6-fluoro-1,3-benzothiazole

2-(2-chloro-6-fluorophenyl)-6-fluoro-1,3-benzothiazole (PubChem CID 102236316) has the molecular formula C13H6ClF2NS and a molecular weight of 281.71 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-6-fluoro-1,3-benzothiazole.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-6-fluoro-1,3-benzothiazole
PubChem CID102236316
Molecular FormulaC13H6ClF2NS
Molecular Weight281.71 g/mol
Exact Mass280.99
IUPAC Name2-(2-chloro-6-fluorophenyl)-6-fluoro-1,3-benzothiazole
SMILESFc1ccc2nc(-c3c(F)cccc3Cl)sc2c1
InChIInChI=1S/C13H6ClF2NS/c14-8-2-1-3-9(16)12(8)13-17-10-5-4-7(15)6-11(10)18-13/h1-6H
InChIKeyPDTRXWHFSMFRPI-UHFFFAOYSA-N
XLogP4.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.71
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-difluorophenyl)-6-methyl-1,3-benzothiazole
CID 102236318
2-(3,5-dichlorophenyl)-6-fluoro-1,3-benzothiazole
CID 50850016
6-fluoro-2-(3,4,5-trichlorophenyl)-1,3-benzothiazole
CID 50850082
2-(2-chloro-6-fluorophenyl)-1,3-benzothiazol-7-amine
CID 95482954
2-(2,6-difluorophenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470349
3-chloro-2-(6-methyl-1,3-benzothiazol-2-yl)benzonitrile
CID 155931557
6-chloro-2-(2-methoxy-6-methylphenyl)-1,3-benzothiazole
CID 134862335
3-fluoro-2-(6-methoxy-1,3-benzothiazol-2-yl)phenol
CID 136789802
2-(2-fluoro-6-methoxyphenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470295
2-(4-fluorophenyl)-6-methyl-1,3-benzothiazole
CID 25233596
2-(6-methyl-1,3-benzothiazol-2-yl)benzene-1,3-diol
CID 136813339
2-bromo-6-(6-fluoro-1,3-benzothiazol-2-yl)aniline
CID 79148412

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-6-fluoro-1,3-benzothiazole?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-6-fluoro-1,3-benzothiazole (CID 102236316) is 2-(2-chloro-6-fluorophenyl)-6-fluoro-1,3-benzothiazole.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-6-fluoro-1,3-benzothiazole?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-6-fluoro-1,3-benzothiazole is Fc1ccc2nc(-c3c(F)cccc3Cl)sc2c1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-6-fluoro-1,3-benzothiazole?
The InChIKey is PDTRXWHFSMFRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF2NS/c14-8-2-1-3-9(16)12(8)13-17-10-5-4-7(15)6-11(10)18-13/h1-6H.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-6-fluoro-1,3-benzothiazole?
2-(2-chloro-6-fluorophenyl)-6-fluoro-1,3-benzothiazole has a molecular weight of 281.71 g/mol, XLogP of 4.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-6-fluoro-1,3-benzothiazole is sourced from PubChem (CID 102236316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).