2-[(4-chloro-3-fluorophenoxy)methyl]-4-methyl-1,3-thiazole

C11H9ClFNOS — CID 82705346

IUPAC2-[(4-chloro-3-fluorophenoxy)methyl]-4-methyl-1,3-thiazole
SMILESCc1csc(COc2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C11H9ClFNOS/c1-7-6-16-11(14-7)5-15-8-2-3-9(12)10(13)4-8/h2-4,6H,5H2,1H3
InChIKeyRVTXOKUMJBQWJO-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.82
Rot. Bonds3

About 2-[(4-chloro-3-fluorophenoxy)methyl]-4-methyl-1,3-thiazole

2-[(4-chloro-3-fluorophenoxy)methyl]-4-methyl-1,3-thiazole (PubChem CID 82705346) has the molecular formula C11H9ClFNOS and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-[(4-chloro-3-fluorophenoxy)methyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(4-chloro-3-fluorophenoxy)methyl]-4-methyl-1,3-thiazole
PubChem CID82705346
Molecular FormulaC11H9ClFNOS
Molecular Weight257.72 g/mol
Exact Mass257.01
IUPAC Name2-[(4-chloro-3-fluorophenoxy)methyl]-4-methyl-1,3-thiazole
SMILESCc1csc(COc2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C11H9ClFNOS/c1-7-6-16-11(14-7)5-15-8-2-3-9(12)10(13)4-8/h2-4,6H,5H2,1H3
InChIKeyRVTXOKUMJBQWJO-UHFFFAOYSA-N
XLogP3.82
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3-fluorophenoxy)methyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[(4-chloro-3-fluorophenoxy)methyl]-4-methyl-1,3-thiazole (CID 82705346) is 2-[(4-chloro-3-fluorophenoxy)methyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[(4-chloro-3-fluorophenoxy)methyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[(4-chloro-3-fluorophenoxy)methyl]-4-methyl-1,3-thiazole is Cc1csc(COc2ccc(Cl)c(F)c2)n1.
What is the InChIKey of 2-[(4-chloro-3-fluorophenoxy)methyl]-4-methyl-1,3-thiazole?
The InChIKey is RVTXOKUMJBQWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNOS/c1-7-6-16-11(14-7)5-15-8-2-3-9(12)10(13)4-8/h2-4,6H,5H2,1H3.
What are the key properties of 2-[(4-chloro-3-fluorophenoxy)methyl]-4-methyl-1,3-thiazole?
2-[(4-chloro-3-fluorophenoxy)methyl]-4-methyl-1,3-thiazole has a molecular weight of 257.72 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-3-fluorophenoxy)methyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 82705346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).