4-amino-3-fluoro-1-benzothiophen-6-ol

C8H6FNOS — CID 130839142

IUPAC4-amino-3-fluoro-1-benzothiophen-6-ol
SMILESNc1cc(O)cc2scc(F)c12
InChIInChI=1S/C8H6FNOS/c9-5-3-12-7-2-4(11)1-6(10)8(5)7/h1-3,11H,10H2
InChIKeyJFYSPJGZDFMFQJ-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.33
Rot. Bonds

About 4-amino-3-fluoro-1-benzothiophen-6-ol

4-amino-3-fluoro-1-benzothiophen-6-ol (PubChem CID 130839142) has the molecular formula C8H6FNOS and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-amino-3-fluoro-1-benzothiophen-6-ol.

Molecular Properties

Compound Name4-amino-3-fluoro-1-benzothiophen-6-ol
PubChem CID130839142
Molecular FormulaC8H6FNOS
Molecular Weight183.21 g/mol
Exact Mass183.02
IUPAC Name4-amino-3-fluoro-1-benzothiophen-6-ol
SMILESNc1cc(O)cc2scc(F)c12
InChIInChI=1S/C8H6FNOS/c9-5-3-12-7-2-4(11)1-6(10)8(5)7/h1-3,11H,10H2
InChIKeyJFYSPJGZDFMFQJ-UHFFFAOYSA-N
XLogP2.33
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 52.33
H-Bond Donors ≤ 52
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 4-amino-3-fluoro-1-benzothiophen-6-ol?
The IUPAC name of 4-amino-3-fluoro-1-benzothiophen-6-ol (CID 130839142) is 4-amino-3-fluoro-1-benzothiophen-6-ol.
What is the SMILES notation for 4-amino-3-fluoro-1-benzothiophen-6-ol?
The canonical SMILES for 4-amino-3-fluoro-1-benzothiophen-6-ol is Nc1cc(O)cc2scc(F)c12.
What is the InChIKey of 4-amino-3-fluoro-1-benzothiophen-6-ol?
The InChIKey is JFYSPJGZDFMFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNOS/c9-5-3-12-7-2-4(11)1-6(10)8(5)7/h1-3,11H,10H2.
What are the key properties of 4-amino-3-fluoro-1-benzothiophen-6-ol?
4-amino-3-fluoro-1-benzothiophen-6-ol has a molecular weight of 183.21 g/mol, XLogP of 2.33, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-1-benzothiophen-6-ol is sourced from PubChem (CID 130839142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).