(5-chlorothiadiazol-4-yl)methyl 2-(4-bromo-2-fluorophenoxy)acetate

C11H7BrClFN2O3S — CID 55420109

IUPAC(5-chlorothiadiazol-4-yl)methyl 2-(4-bromo-2-fluorophenoxy)acetate
SMILESO=C(COc1ccc(Br)cc1F)OCc1nnsc1Cl
InChIInChI=1S/C11H7BrClFN2O3S/c12-6-1-2-9(7(14)3-6)18-5-10(17)19-4-8-11(13)20-16-15-8/h1-3H,4-5H2
InChIKeyCOSOQOKMOKELTJ-UHFFFAOYSA-N
MW381.61 g/mol
LogP3.22
Rot. Bonds5

About (5-chlorothiadiazol-4-yl)methyl 2-(4-bromo-2-fluorophenoxy)acetate

(5-chlorothiadiazol-4-yl)methyl 2-(4-bromo-2-fluorophenoxy)acetate (PubChem CID 55420109) has the molecular formula C11H7BrClFN2O3S and a molecular weight of 381.61 g/mol. Its IUPAC name is (5-chlorothiadiazol-4-yl)methyl 2-(4-bromo-2-fluorophenoxy)acetate.

Molecular Properties

Compound Name(5-chlorothiadiazol-4-yl)methyl 2-(4-bromo-2-fluorophenoxy)acetate
PubChem CID55420109
Molecular FormulaC11H7BrClFN2O3S
Molecular Weight381.61 g/mol
Exact Mass379.90
IUPAC Name(5-chlorothiadiazol-4-yl)methyl 2-(4-bromo-2-fluorophenoxy)acetate
SMILESO=C(COc1ccc(Br)cc1F)OCc1nnsc1Cl
InChIInChI=1S/C11H7BrClFN2O3S/c12-6-1-2-9(7(14)3-6)18-5-10(17)19-4-8-11(13)20-16-15-8/h1-3H,4-5H2
InChIKeyCOSOQOKMOKELTJ-UHFFFAOYSA-N
XLogP3.22
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.61
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiadiazol-4-yl)methyl 2-(4-bromo-2-fluorophenoxy)acetate?
The IUPAC name of (5-chlorothiadiazol-4-yl)methyl 2-(4-bromo-2-fluorophenoxy)acetate (CID 55420109) is (5-chlorothiadiazol-4-yl)methyl 2-(4-bromo-2-fluorophenoxy)acetate.
What is the SMILES notation for (5-chlorothiadiazol-4-yl)methyl 2-(4-bromo-2-fluorophenoxy)acetate?
The canonical SMILES for (5-chlorothiadiazol-4-yl)methyl 2-(4-bromo-2-fluorophenoxy)acetate is O=C(COc1ccc(Br)cc1F)OCc1nnsc1Cl.
What is the InChIKey of (5-chlorothiadiazol-4-yl)methyl 2-(4-bromo-2-fluorophenoxy)acetate?
The InChIKey is COSOQOKMOKELTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClFN2O3S/c12-6-1-2-9(7(14)3-6)18-5-10(17)19-4-8-11(13)20-16-15-8/h1-3H,4-5H2.
What are the key properties of (5-chlorothiadiazol-4-yl)methyl 2-(4-bromo-2-fluorophenoxy)acetate?
(5-chlorothiadiazol-4-yl)methyl 2-(4-bromo-2-fluorophenoxy)acetate has a molecular weight of 381.61 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiadiazol-4-yl)methyl 2-(4-bromo-2-fluorophenoxy)acetate is sourced from PubChem (CID 55420109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).