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

C8H6FNOS — CID 130898294

IUPAC2-amino-3-fluoro-1-benzothiophen-6-ol
SMILESNc1sc2cc(O)ccc2c1F
InChIInChI=1S/C8H6FNOS/c9-7-5-2-1-4(11)3-6(5)12-8(7)10/h1-3,11H,10H2
InChIKeyVWJCAIQAWUIMFF-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.33
Rot. Bonds

About 2-amino-3-fluoro-1-benzothiophen-6-ol

2-amino-3-fluoro-1-benzothiophen-6-ol (PubChem CID 130898294) has the molecular formula C8H6FNOS and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-amino-3-fluoro-1-benzothiophen-6-ol.

Molecular Properties

Compound Name2-amino-3-fluoro-1-benzothiophen-6-ol
PubChem CID130898294
Molecular FormulaC8H6FNOS
Molecular Weight183.21 g/mol
Exact Mass183.02
IUPAC Name2-amino-3-fluoro-1-benzothiophen-6-ol
SMILESNc1sc2cc(O)ccc2c1F
InChIInChI=1S/C8H6FNOS/c9-7-5-2-1-4(11)3-6(5)12-8(7)10/h1-3,11H,10H2
InChIKeyVWJCAIQAWUIMFF-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-1-benzothiophen-6-ol?
The IUPAC name of 2-amino-3-fluoro-1-benzothiophen-6-ol (CID 130898294) is 2-amino-3-fluoro-1-benzothiophen-6-ol.
What is the SMILES notation for 2-amino-3-fluoro-1-benzothiophen-6-ol?
The canonical SMILES for 2-amino-3-fluoro-1-benzothiophen-6-ol is Nc1sc2cc(O)ccc2c1F.
What is the InChIKey of 2-amino-3-fluoro-1-benzothiophen-6-ol?
The InChIKey is VWJCAIQAWUIMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNOS/c9-7-5-2-1-4(11)3-6(5)12-8(7)10/h1-3,11H,10H2.
What are the key properties of 2-amino-3-fluoro-1-benzothiophen-6-ol?
2-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 2-amino-3-fluoro-1-benzothiophen-6-ol is sourced from PubChem (CID 130898294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).