7-(chloromethyl)-6-fluoro-1-benzothiophen-2-ol

C₉H₆ClFOS — CID 130955566

About 7-(chloromethyl)-6-fluoro-1-benzothiophen-2-ol

7-(chloromethyl)-6-fluoro-1-benzothiophen-2-ol (PubChem CID 130955566) has the molecular formula C₉H₆ClFOS and a molecular weight of 216.66 g/mol. Its IUPAC name is 7-(chloromethyl)-6-fluoro-1-benzothiophen-2-ol.

Molecular Properties

• Compound Name: 7-(chloromethyl)-6-fluoro-1-benzothiophen-2-ol
• PubChem CID: 130955566
• Molecular Formula: C₉H₆ClFOS
• Molecular Weight: 216.66 g/mol
• Exact Mass: 215.98
• IUPAC Name: 7-(chloromethyl)-6-fluoro-1-benzothiophen-2-ol
• SMILES: Oc1cc2ccc(F)c(CCl)c2s1
• InChI: InChI=1S/C9H6ClFOS/c10-4-6-7(11)2-1-5-3-8(12)13-9(5)6/h1-3,12H,4H2
• InChIKey: QHQDZYZTBJEWGV-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	216.66
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(chloromethyl)-6-fluoro-1-benzothiophen-2-ol?

The IUPAC name of 7-(chloromethyl)-6-fluoro-1-benzothiophen-2-ol (CID 130955566) is 7-(chloromethyl)-6-fluoro-1-benzothiophen-2-ol.

What is the SMILES notation for 7-(chloromethyl)-6-fluoro-1-benzothiophen-2-ol?

The canonical SMILES for 7-(chloromethyl)-6-fluoro-1-benzothiophen-2-ol is Oc1cc2ccc(F)c(CCl)c2s1.

What is the InChIKey of 7-(chloromethyl)-6-fluoro-1-benzothiophen-2-ol?

The InChIKey is QHQDZYZTBJEWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFOS/c10-4-6-7(11)2-1-5-3-8(12)13-9(5)6/h1-3,12H,4H2.

What are the key properties of 7-(chloromethyl)-6-fluoro-1-benzothiophen-2-ol?

7-(chloromethyl)-6-fluoro-1-benzothiophen-2-ol has a molecular weight of 216.66 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(chloromethyl)-6-fluoro-1-benzothiophen-2-ol is sourced from PubChem (CID 130955566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 130955566 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.