2-Fluorodibenzothiophen-3-amine

C₁₂H₈FNS — CID 171455891

About 2-Fluorodibenzothiophen-3-amine

2-Fluorodibenzothiophen-3-amine (PubChem CID 171455891) has the molecular formula C₁₂H₈FNS and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-fluorodibenzothiophen-3-amine.

Molecular Properties

• Compound Name: 2-Fluorodibenzothiophen-3-amine
• PubChem CID: 171455891
• Molecular Formula: C₁₂H₈FNS
• Molecular Weight: 217.27 g/mol
• Exact Mass: 217.04
• IUPAC Name: 2-fluorodibenzothiophen-3-amine
• SMILES: Nc1cc2sc3ccccc3c2cc1F
• InChI: InChI=1S/C12H8FNS/c13-9-5-8-7-3-1-2-4-11(7)15-12(8)6-10(9)14/h1-6H,14H2
• InChIKey: GTEVJYJHHZQPEH-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 26.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	217.27
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-Fluorodibenzothiophen-3-amine?

The IUPAC name of 2-Fluorodibenzothiophen-3-amine (CID 171455891) is 2-fluorodibenzothiophen-3-amine.

What is the SMILES notation for 2-Fluorodibenzothiophen-3-amine?

The canonical SMILES for 2-Fluorodibenzothiophen-3-amine is Nc1cc2sc3ccccc3c2cc1F.

What is the InChIKey of 2-Fluorodibenzothiophen-3-amine?

The InChIKey is GTEVJYJHHZQPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNS/c13-9-5-8-7-3-1-2-4-11(7)15-12(8)6-10(9)14/h1-6H,14H2.

What are the key properties of 2-Fluorodibenzothiophen-3-amine?

2-Fluorodibenzothiophen-3-amine has a molecular weight of 217.27 g/mol, XLogP of 3.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-Fluorodibenzothiophen-3-amine is sourced from PubChem (CID 171455891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 171455891 — identifiers, structure, computed properties (public domain)

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