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

C8H6FNOS — CID 130956346

IUPAC3-amino-6-fluoro-1-benzothiophen-4-ol
SMILESNc1csc2cc(F)cc(O)c12
InChIInChI=1S/C8H6FNOS/c9-4-1-6(11)8-5(10)3-12-7(8)2-4/h1-3,11H,10H2
InChIKeyKWSKJDYFPJNUSW-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.33
Rot. Bonds

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

3-amino-6-fluoro-1-benzothiophen-4-ol (PubChem CID 130956346) has the molecular formula C8H6FNOS and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-amino-6-fluoro-1-benzothiophen-4-ol.

Molecular Properties

Compound Name3-amino-6-fluoro-1-benzothiophen-4-ol
PubChem CID130956346
Molecular FormulaC8H6FNOS
Molecular Weight183.21 g/mol
Exact Mass183.02
IUPAC Name3-amino-6-fluoro-1-benzothiophen-4-ol
SMILESNc1csc2cc(F)cc(O)c12
InChIInChI=1S/C8H6FNOS/c9-4-1-6(11)8-5(10)3-12-7(8)2-4/h1-3,11H,10H2
InChIKeyKWSKJDYFPJNUSW-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

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Related Compounds

3-amino-6-fluoro-1-benzothiophene-4-thiol
CID 130816478
2-(3-amino-6-fluoro-1-benzothiophen-4-yl)acetonitrile
CID 130820910
4-ethyl-6-fluoro-1-benzothiophen-3-ol
CID 130826695
1-benzothiophene-3,4,6-triamine
CID 130971655
2-bromo-5-fluorobenzene-1,3-diol
CID 131382687
3-amino-5-(difluoromethyl)-1-benzothiophen-4-ol
CID 130792241
3-amino-4-methoxy-1-benzothiophen-5-ol
CID 130792504
6-amino-4-methyl-1-benzothiophen-3-ol
CID 130878558
6-bromo-3-chloro-1-benzothiophen-4-ol
CID 130925677
3,6-diamino-1-benzothiophene-4-carbonitrile
CID 131169584
2-(3-amino-5-hydroxy-1-benzothiophen-4-yl)acetonitrile
CID 131060134
6-fluoro-1,3-benzothiazol-4-amine
CID 53412806

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-fluoro-1-benzothiophen-4-ol?
The IUPAC name of 3-amino-6-fluoro-1-benzothiophen-4-ol (CID 130956346) is 3-amino-6-fluoro-1-benzothiophen-4-ol.
What is the SMILES notation for 3-amino-6-fluoro-1-benzothiophen-4-ol?
The canonical SMILES for 3-amino-6-fluoro-1-benzothiophen-4-ol is Nc1csc2cc(F)cc(O)c12.
What is the InChIKey of 3-amino-6-fluoro-1-benzothiophen-4-ol?
The InChIKey is KWSKJDYFPJNUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNOS/c9-4-1-6(11)8-5(10)3-12-7(8)2-4/h1-3,11H,10H2.
What are the key properties of 3-amino-6-fluoro-1-benzothiophen-4-ol?
3-amino-6-fluoro-1-benzothiophen-4-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 3-amino-6-fluoro-1-benzothiophen-4-ol is sourced from PubChem (CID 130956346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).