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

C9H8FNOS — CID 130816670

IUPAC6-fluoro-5-methoxy-1-benzothiophen-4-amine
SMILESCOc1c(F)cc2sccc2c1N
InChIInChI=1S/C9H8FNOS/c1-12-9-6(10)4-7-5(8(9)11)2-3-13-7/h2-4H,11H2,1H3
InChIKeyQQNAXGWAAGWYSX-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.63
Rot. Bonds1

About 6-fluoro-5-methoxy-1-benzothiophen-4-amine

6-fluoro-5-methoxy-1-benzothiophen-4-amine (PubChem CID 130816670) has the molecular formula C9H8FNOS and a molecular weight of 197.23 g/mol. Its IUPAC name is 6-fluoro-5-methoxy-1-benzothiophen-4-amine.

Molecular Properties

Compound Name6-fluoro-5-methoxy-1-benzothiophen-4-amine
PubChem CID130816670
Molecular FormulaC9H8FNOS
Molecular Weight197.23 g/mol
Exact Mass197.03
IUPAC Name6-fluoro-5-methoxy-1-benzothiophen-4-amine
SMILESCOc1c(F)cc2sccc2c1N
InChIInChI=1S/C9H8FNOS/c1-12-9-6(10)4-7-5(8(9)11)2-3-13-7/h2-4H,11H2,1H3
InChIKeyQQNAXGWAAGWYSX-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'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-methoxy-1-benzothiophen-4-amine?
The IUPAC name of 6-fluoro-5-methoxy-1-benzothiophen-4-amine (CID 130816670) is 6-fluoro-5-methoxy-1-benzothiophen-4-amine.
What is the SMILES notation for 6-fluoro-5-methoxy-1-benzothiophen-4-amine?
The canonical SMILES for 6-fluoro-5-methoxy-1-benzothiophen-4-amine is COc1c(F)cc2sccc2c1N.
What is the InChIKey of 6-fluoro-5-methoxy-1-benzothiophen-4-amine?
The InChIKey is QQNAXGWAAGWYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNOS/c1-12-9-6(10)4-7-5(8(9)11)2-3-13-7/h2-4H,11H2,1H3.
What are the key properties of 6-fluoro-5-methoxy-1-benzothiophen-4-amine?
6-fluoro-5-methoxy-1-benzothiophen-4-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 6-fluoro-5-methoxy-1-benzothiophen-4-amine is sourced from PubChem (CID 130816670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).