5-Fluoro-2-methoxy-1-benzothiophen-4-amine

C9H8FNOS — CID 130839723

IUPAC5-fluoro-2-methoxy-1-benzothiophen-4-amine
SMILESCOC1=CC2=C(S1)C=CC(=C2N)F
InChIInChI=1S/C9H8FNOS/c1-12-8-4-5-7(13-8)3-2-6(10)9(5)11/h2-4H,11H2,1H3
InChIKeyJUFKECNOHRYITR-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.70
Rot. Bonds1

About 5-Fluoro-2-methoxy-1-benzothiophen-4-amine

5-Fluoro-2-methoxy-1-benzothiophen-4-amine (PubChem CID 130839723) has the molecular formula C9H8FNOS and a molecular weight of 197.23 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-1-benzothiophen-4-amine.

Molecular Properties

Compound Name5-Fluoro-2-methoxy-1-benzothiophen-4-amine
PubChem CID130839723
Molecular FormulaC9H8FNOS
Molecular Weight197.23 g/mol
Exact Mass197.03
IUPAC Name5-fluoro-2-methoxy-1-benzothiophen-4-amine
SMILESCOC1=CC2=C(S1)C=CC(=C2N)F
InChIInChI=1S/C9H8FNOS/c1-12-8-4-5-7(13-8)3-2-6(10)9(5)11/h2-4H,11H2,1H3
InChIKeyJUFKECNOHRYITR-UHFFFAOYSA-N
XLogP2.70
TPSA63.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity192

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-Fluoro-2-methoxy-1-benzothiophen-4-amine?
The IUPAC name of 5-Fluoro-2-methoxy-1-benzothiophen-4-amine (CID 130839723) is 5-fluoro-2-methoxy-1-benzothiophen-4-amine.
What is the SMILES notation for 5-Fluoro-2-methoxy-1-benzothiophen-4-amine?
The canonical SMILES for 5-Fluoro-2-methoxy-1-benzothiophen-4-amine is COC1=CC2=C(S1)C=CC(=C2N)F.
What is the InChIKey of 5-Fluoro-2-methoxy-1-benzothiophen-4-amine?
The InChIKey is JUFKECNOHRYITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNOS/c1-12-8-4-5-7(13-8)3-2-6(10)9(5)11/h2-4H,11H2,1H3.
What are the key properties of 5-Fluoro-2-methoxy-1-benzothiophen-4-amine?
5-Fluoro-2-methoxy-1-benzothiophen-4-amine has a molecular weight of 197.23 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-Fluoro-2-methoxy-1-benzothiophen-4-amine is sourced from PubChem (CID 130839723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).