(2Z)-2-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyiminoacetic acid

C11H8FNO3S — CID 88702899

IUPAC(2Z)-2-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyiminoacetic acid
SMILESCO/N=C(/C(=O)O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C11H8FNO3S/c1-16-13-10(11(14)15)9-4-6-2-3-7(12)5-8(6)17-9/h2-5H,1H3,(H,14,15)/b13-10+
InChIKeyTUYGTMNKIIMWIO-JLHYYAGUSA-N
MW253.25 g/mol
LogP2.48
Rot. Bonds3

About (2Z)-2-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyiminoacetic acid

(2Z)-2-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyiminoacetic acid (PubChem CID 88702899) has the molecular formula C11H8FNO3S and a molecular weight of 253.25 g/mol. Its IUPAC name is (2Z)-2-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyiminoacetic acid.

Molecular Properties

Compound Name(2Z)-2-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyiminoacetic acid
PubChem CID88702899
Molecular FormulaC11H8FNO3S
Molecular Weight253.25 g/mol
Exact Mass253.02
IUPAC Name(2Z)-2-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyiminoacetic acid
SMILESCO/N=C(/C(=O)O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C11H8FNO3S/c1-16-13-10(11(14)15)9-4-6-2-3-7(12)5-8(6)17-9/h2-5H,1H3,(H,14,15)/b13-10+
InChIKeyTUYGTMNKIIMWIO-JLHYYAGUSA-N
XLogP2.48
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyiminoacetic acid?
The IUPAC name of (2Z)-2-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyiminoacetic acid (CID 88702899) is (2Z)-2-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyiminoacetic acid.
What is the SMILES notation for (2Z)-2-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyiminoacetic acid?
The canonical SMILES for (2Z)-2-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyiminoacetic acid is CO/N=C(/C(=O)O)c1cc2ccc(F)cc2s1.
What is the InChIKey of (2Z)-2-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyiminoacetic acid?
The InChIKey is TUYGTMNKIIMWIO-JLHYYAGUSA-N. The full InChI is InChI=1S/C11H8FNO3S/c1-16-13-10(11(14)15)9-4-6-2-3-7(12)5-8(6)17-9/h2-5H,1H3,(H,14,15)/b13-10+.
What are the key properties of (2Z)-2-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyiminoacetic acid?
(2Z)-2-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyiminoacetic acid has a molecular weight of 253.25 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyiminoacetic acid is sourced from PubChem (CID 88702899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).