5-[(2-fluorophenoxy)methyl]-1,1-dioxo-1,2-thiazole-4-carboxylic acid

C11H8FNO5S — CID 117217533

IUPAC5-[(2-fluorophenoxy)methyl]-1,1-dioxo-1,2-thiazole-4-carboxylic acid
SMILESO=C(O)C1=C(COc2ccccc2F)S(=O)(=O)N=C1
InChIInChI=1S/C11H8FNO5S/c12-8-3-1-2-4-9(8)18-6-10-7(11(14)15)5-13-19(10,16)17/h1-5H,6H2,(H,14,15)
InChIKeyQOFRZDXXJSHZCB-UHFFFAOYSA-N
MW285.25 g/mol
LogP0.96
Rot. Bonds4

About 5-[(2-fluorophenoxy)methyl]-1,1-dioxo-1,2-thiazole-4-carboxylic acid

5-[(2-fluorophenoxy)methyl]-1,1-dioxo-1,2-thiazole-4-carboxylic acid (PubChem CID 117217533) has the molecular formula C11H8FNO5S and a molecular weight of 285.25 g/mol. Its IUPAC name is 5-[(2-fluorophenoxy)methyl]-1,1-dioxo-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(2-fluorophenoxy)methyl]-1,1-dioxo-1,2-thiazole-4-carboxylic acid
PubChem CID117217533
Molecular FormulaC11H8FNO5S
Molecular Weight285.25 g/mol
Exact Mass285.01
IUPAC Name5-[(2-fluorophenoxy)methyl]-1,1-dioxo-1,2-thiazole-4-carboxylic acid
SMILESO=C(O)C1=C(COc2ccccc2F)S(=O)(=O)N=C1
InChIInChI=1S/C11H8FNO5S/c12-8-3-1-2-4-9(8)18-6-10-7(11(14)15)5-13-19(10,16)17/h1-5H,6H2,(H,14,15)
InChIKeyQOFRZDXXJSHZCB-UHFFFAOYSA-N
XLogP0.96
TPSA93.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-fluorophenoxy)methyl]-1,1-dioxo-1,2-thiazole-5-carboxylic acid
CID 117216359
2-[5-[(2-fluorophenoxy)methyl]tetrazol-2-yl]acetic acid
CID 116820051
2-[(2-fluorophenoxy)methyl]-5-methylbenzoic acid
CID 117221035
5-[(2-fluorophenoxy)methyl]thiophene-2-carboxylic acid
CID 55184546
5-(ethylaminomethyl)-1,1-dioxo-1,2-thiazole-4-carboxylic acid
CID 117217573
2-[(2-fluorophenoxy)methyl]-1,3-thiazole 1,1-dioxide
CID 117186882
3-[2-[(2-fluorophenoxy)methyl]-1,3-thiazol-5-yl]propanoic acid
CID 82423026
5-fluoro-2-[(2-fluorophenoxy)methyl]pyridine
CID 123573054
4-fluoro-2-[(2-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide
CID 117172579
2-[(2-fluorophenyl)methoxy]benzoic acid
CID 8707038
6-(ethylamino)-2-[(2-fluorophenoxy)methyl]pyrimidine-4-carboxylic acid
CID 82169857
3-[(2-fluorophenoxy)methyl]-1-benzothiophene-7-carboxylic acid
CID 117181633

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenoxy)methyl]-1,1-dioxo-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 5-[(2-fluorophenoxy)methyl]-1,1-dioxo-1,2-thiazole-4-carboxylic acid (CID 117217533) is 5-[(2-fluorophenoxy)methyl]-1,1-dioxo-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[(2-fluorophenoxy)methyl]-1,1-dioxo-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[(2-fluorophenoxy)methyl]-1,1-dioxo-1,2-thiazole-4-carboxylic acid is O=C(O)C1=C(COc2ccccc2F)S(=O)(=O)N=C1.
What is the InChIKey of 5-[(2-fluorophenoxy)methyl]-1,1-dioxo-1,2-thiazole-4-carboxylic acid?
The InChIKey is QOFRZDXXJSHZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO5S/c12-8-3-1-2-4-9(8)18-6-10-7(11(14)15)5-13-19(10,16)17/h1-5H,6H2,(H,14,15).
What are the key properties of 5-[(2-fluorophenoxy)methyl]-1,1-dioxo-1,2-thiazole-4-carboxylic acid?
5-[(2-fluorophenoxy)methyl]-1,1-dioxo-1,2-thiazole-4-carboxylic acid has a molecular weight of 285.25 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenoxy)methyl]-1,1-dioxo-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 117217533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).