3-amino-5-fluoro-1-benzothiophen-2-ol

C8H6FNOS — CID 130820900

IUPAC3-amino-5-fluoro-1-benzothiophen-2-ol
SMILESNc1c(O)sc2ccc(F)cc12
InChIInChI=1S/C8H6FNOS/c9-4-1-2-6-5(3-4)7(10)8(11)12-6/h1-3,11H,10H2
InChIKeyYDZRHUXTGBFGKT-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.33
Rot. Bonds

About 3-amino-5-fluoro-1-benzothiophen-2-ol

3-amino-5-fluoro-1-benzothiophen-2-ol (PubChem CID 130820900) has the molecular formula C8H6FNOS and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-amino-5-fluoro-1-benzothiophen-2-ol.

Molecular Properties

Compound Name3-amino-5-fluoro-1-benzothiophen-2-ol
PubChem CID130820900
Molecular FormulaC8H6FNOS
Molecular Weight183.21 g/mol
Exact Mass183.02
IUPAC Name3-amino-5-fluoro-1-benzothiophen-2-ol
SMILESNc1c(O)sc2ccc(F)cc12
InChIInChI=1S/C8H6FNOS/c9-4-1-2-6-5(3-4)7(10)8(11)12-6/h1-3,11H,10H2
InChIKeyYDZRHUXTGBFGKT-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 3-amino-5-fluoro-1-benzothiophen-2-ol?
The IUPAC name of 3-amino-5-fluoro-1-benzothiophen-2-ol (CID 130820900) is 3-amino-5-fluoro-1-benzothiophen-2-ol.
What is the SMILES notation for 3-amino-5-fluoro-1-benzothiophen-2-ol?
The canonical SMILES for 3-amino-5-fluoro-1-benzothiophen-2-ol is Nc1c(O)sc2ccc(F)cc12.
What is the InChIKey of 3-amino-5-fluoro-1-benzothiophen-2-ol?
The InChIKey is YDZRHUXTGBFGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNOS/c9-4-1-2-6-5(3-4)7(10)8(11)12-6/h1-3,11H,10H2.
What are the key properties of 3-amino-5-fluoro-1-benzothiophen-2-ol?
3-amino-5-fluoro-1-benzothiophen-2-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-5-fluoro-1-benzothiophen-2-ol is sourced from PubChem (CID 130820900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).