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

C8H3ClF3NS — CID 24728950

IUPAC2-chloro-4-(trifluoromethyl)-1,3-benzothiazole
SMILESFC(F)(F)c1cccc2sc(Cl)nc12
InChIInChI=1S/C8H3ClF3NS/c9-7-13-6-4(8(10,11)12)2-1-3-5(6)14-7/h1-3H
InChIKeyMTDGCBQYEPMXDI-UHFFFAOYSA-N
MW237.63 g/mol
LogP3.97
Rot. Bonds

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

2-chloro-4-(trifluoromethyl)-1,3-benzothiazole (PubChem CID 24728950) has the molecular formula C8H3ClF3NS and a molecular weight of 237.63 g/mol. Its IUPAC name is 2-chloro-4-(trifluoromethyl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-chloro-4-(trifluoromethyl)-1,3-benzothiazole
PubChem CID24728950
Molecular FormulaC8H3ClF3NS
Molecular Weight237.63 g/mol
Exact Mass236.96
IUPAC Name2-chloro-4-(trifluoromethyl)-1,3-benzothiazole
SMILESFC(F)(F)c1cccc2sc(Cl)nc12
InChIInChI=1S/C8H3ClF3NS/c9-7-13-6-4(8(10,11)12)2-1-3-5(6)14-7/h1-3H
InChIKeyMTDGCBQYEPMXDI-UHFFFAOYSA-N
XLogP3.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.63
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(trifluoromethyl)-1,3-benzothiazole?
The IUPAC name of 2-chloro-4-(trifluoromethyl)-1,3-benzothiazole (CID 24728950) is 2-chloro-4-(trifluoromethyl)-1,3-benzothiazole.
What is the SMILES notation for 2-chloro-4-(trifluoromethyl)-1,3-benzothiazole?
The canonical SMILES for 2-chloro-4-(trifluoromethyl)-1,3-benzothiazole is FC(F)(F)c1cccc2sc(Cl)nc12.
What is the InChIKey of 2-chloro-4-(trifluoromethyl)-1,3-benzothiazole?
The InChIKey is MTDGCBQYEPMXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF3NS/c9-7-13-6-4(8(10,11)12)2-1-3-5(6)14-7/h1-3H.
What are the key properties of 2-chloro-4-(trifluoromethyl)-1,3-benzothiazole?
2-chloro-4-(trifluoromethyl)-1,3-benzothiazole has a molecular weight of 237.63 g/mol, XLogP of 3.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(trifluoromethyl)-1,3-benzothiazole is sourced from PubChem (CID 24728950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).