3-fluoro-4-methoxy-1-benzothiophen-5-amine

C9H8FNOS — CID 130816671

IUPAC3-fluoro-4-methoxy-1-benzothiophen-5-amine
SMILESCOc1c(N)ccc2scc(F)c12
InChIInChI=1S/C9H8FNOS/c1-12-9-6(11)2-3-7-8(9)5(10)4-13-7/h2-4H,11H2,1H3
InChIKeyQZVXTFBVVYKWIF-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.63
Rot. Bonds1

About 3-fluoro-4-methoxy-1-benzothiophen-5-amine

3-fluoro-4-methoxy-1-benzothiophen-5-amine (PubChem CID 130816671) has the molecular formula C9H8FNOS and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-1-benzothiophen-5-amine.

Molecular Properties

Compound Name3-fluoro-4-methoxy-1-benzothiophen-5-amine
PubChem CID130816671
Molecular FormulaC9H8FNOS
Molecular Weight197.23 g/mol
Exact Mass197.03
IUPAC Name3-fluoro-4-methoxy-1-benzothiophen-5-amine
SMILESCOc1c(N)ccc2scc(F)c12
InChIInChI=1S/C9H8FNOS/c1-12-9-6(11)2-3-7-8(9)5(10)4-13-7/h2-4H,11H2,1H3
InChIKeyQZVXTFBVVYKWIF-UHFFFAOYSA-N
XLogP2.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-fluoro-4-methoxy-1-benzothiophen-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-1-benzothiophen-5-amine?
The IUPAC name of 3-fluoro-4-methoxy-1-benzothiophen-5-amine (CID 130816671) is 3-fluoro-4-methoxy-1-benzothiophen-5-amine.
What is the SMILES notation for 3-fluoro-4-methoxy-1-benzothiophen-5-amine?
The canonical SMILES for 3-fluoro-4-methoxy-1-benzothiophen-5-amine is COc1c(N)ccc2scc(F)c12.
What is the InChIKey of 3-fluoro-4-methoxy-1-benzothiophen-5-amine?
The InChIKey is QZVXTFBVVYKWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNOS/c1-12-9-6(11)2-3-7-8(9)5(10)4-13-7/h2-4H,11H2,1H3.
What are the key properties of 3-fluoro-4-methoxy-1-benzothiophen-5-amine?
3-fluoro-4-methoxy-1-benzothiophen-5-amine has a molecular weight of 197.23 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-1-benzothiophen-5-amine is sourced from PubChem (CID 130816671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).