7-amino-5-fluoro-1-benzothiophen-2-ol

C₈H₆FNOS — CID 131169647

About 7-amino-5-fluoro-1-benzothiophen-2-ol

7-amino-5-fluoro-1-benzothiophen-2-ol (PubChem CID 131169647) has the molecular formula C₈H₆FNOS and a molecular weight of 183.21 g/mol. Its IUPAC name is 7-amino-5-fluoro-1-benzothiophen-2-ol.

Molecular Properties

• Compound Name: 7-amino-5-fluoro-1-benzothiophen-2-ol
• PubChem CID: 131169647
• Molecular Formula: C₈H₆FNOS
• Molecular Weight: 183.21 g/mol
• Exact Mass: 183.02
• IUPAC Name: 7-amino-5-fluoro-1-benzothiophen-2-ol
• SMILES: Nc1cc(F)cc2cc(O)sc12
• InChI: InChI=1S/C8H6FNOS/c9-5-1-4-2-7(11)12-8(4)6(10)3-5/h1-3,11H,10H2
• InChIKey: YFSINZNUWISWII-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 46.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	183.21
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-amino-5-fluoro-1-benzothiophen-2-ol?

The IUPAC name of 7-amino-5-fluoro-1-benzothiophen-2-ol (CID 131169647) is 7-amino-5-fluoro-1-benzothiophen-2-ol.

What is the SMILES notation for 7-amino-5-fluoro-1-benzothiophen-2-ol?

The canonical SMILES for 7-amino-5-fluoro-1-benzothiophen-2-ol is Nc1cc(F)cc2cc(O)sc12.

What is the InChIKey of 7-amino-5-fluoro-1-benzothiophen-2-ol?

The InChIKey is YFSINZNUWISWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNOS/c9-5-1-4-2-7(11)12-8(4)6(10)3-5/h1-3,11H,10H2.

What are the key properties of 7-amino-5-fluoro-1-benzothiophen-2-ol?

7-amino-5-fluoro-1-benzothiophen-2-ol has a molecular weight of 183.21 g/mol, XLogP of 2.33, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-5-fluoro-1-benzothiophen-2-ol is sourced from PubChem (CID 131169647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 131169647 — identifiers, structure, computed properties (public domain)

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