5-(5-bromo-2-chlorophenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole

C9H3BrClF3N2OS — CID 107304595

IUPAC5-(5-bromo-2-chlorophenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESFC(F)(F)c1nsc(Oc2cc(Br)ccc2Cl)n1
InChIInChI=1S/C9H3BrClF3N2OS/c10-4-1-2-5(11)6(3-4)17-8-15-7(16-18-8)9(12,13)14/h1-3H
InChIKeyKAYNIYJOHROPLC-UHFFFAOYSA-N
MW359.55 g/mol
LogP4.77
Rot. Bonds2

About 5-(5-bromo-2-chlorophenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole

5-(5-bromo-2-chlorophenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole (PubChem CID 107304595) has the molecular formula C9H3BrClF3N2OS and a molecular weight of 359.55 g/mol. Its IUPAC name is 5-(5-bromo-2-chlorophenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(5-bromo-2-chlorophenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole
PubChem CID107304595
Molecular FormulaC9H3BrClF3N2OS
Molecular Weight359.55 g/mol
Exact Mass357.88
IUPAC Name5-(5-bromo-2-chlorophenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESFC(F)(F)c1nsc(Oc2cc(Br)ccc2Cl)n1
InChIInChI=1S/C9H3BrClF3N2OS/c10-4-1-2-5(11)6(3-4)17-8-15-7(16-18-8)9(12,13)14/h1-3H
InChIKeyKAYNIYJOHROPLC-UHFFFAOYSA-N
XLogP4.77
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.55
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-chlorophenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-(5-bromo-2-chlorophenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole (CID 107304595) is 5-(5-bromo-2-chlorophenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-(5-bromo-2-chlorophenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-(5-bromo-2-chlorophenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole is FC(F)(F)c1nsc(Oc2cc(Br)ccc2Cl)n1.
What is the InChIKey of 5-(5-bromo-2-chlorophenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole?
The InChIKey is KAYNIYJOHROPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3BrClF3N2OS/c10-4-1-2-5(11)6(3-4)17-8-15-7(16-18-8)9(12,13)14/h1-3H.
What are the key properties of 5-(5-bromo-2-chlorophenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole?
5-(5-bromo-2-chlorophenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole has a molecular weight of 359.55 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-chlorophenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 107304595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).