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

C8H6FNOS — CID 130820799

IUPAC2-amino-4-fluoro-1-benzothiophen-3-ol
SMILESNc1sc2cccc(F)c2c1O
InChIInChI=1S/C8H6FNOS/c9-4-2-1-3-5-6(4)7(11)8(10)12-5/h1-3,11H,10H2
InChIKeyIYMKDZJOGLCBBS-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.33
Rot. Bonds

About 2-amino-4-fluoro-1-benzothiophen-3-ol

2-amino-4-fluoro-1-benzothiophen-3-ol (PubChem CID 130820799) has the molecular formula C8H6FNOS and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-amino-4-fluoro-1-benzothiophen-3-ol.

Molecular Properties

Compound Name2-amino-4-fluoro-1-benzothiophen-3-ol
PubChem CID130820799
Molecular FormulaC8H6FNOS
Molecular Weight183.21 g/mol
Exact Mass183.02
IUPAC Name2-amino-4-fluoro-1-benzothiophen-3-ol
SMILESNc1sc2cccc(F)c2c1O
InChIInChI=1S/C8H6FNOS/c9-4-2-1-3-5-6(4)7(11)8(10)12-5/h1-3,11H,10H2
InChIKeyIYMKDZJOGLCBBS-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': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Related Compounds

2-(Phenyl-hydrazono)-benzo[b]thiophen-3-one
CID 917269
2-[2-(4-Methylphenyl)hydrazin-1-ylidene]-2,3-dihydro-1-benzothiophen-3-one
CID 916163
Benzo[b]thiophene-2,3-dione, 2-oxime
CID 288394
2-Nitro-1-benzothiophen-3-ol
CID 298527
2-Amino-5-fluoro-1-benzothiophen-3-ol
CID 130925716
6-Fluoro-7-methyl-2-nitroso-1-benzothiophen-3-ol
CID 136435511
5-Fluoro-7-methyl-2-nitroso-1-benzothiophen-3-ol
CID 136435517
2-(2-Amino-1-benzothiophen-3-yl)-1,1,1-trifluoropropan-2-ol
CID 166462070
2-Amino-3-hydroxy-5-phenylthiophene hydrochloride
CID 129784878
2-[[3-(Trifluoromethyl)phenyl]diazenyl]-1-benzothiophen-3-ol
CID 2320796
1-Benzothiophene-2,3-dione 2-[(2,3,4,5,6-pentafluorophenyl)hydrazone]
CID 4863336
2-(Aminomethyl)-5-fluoro-1-benzothiophen-3-ol
CID 84024258

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-1-benzothiophen-3-ol?
The IUPAC name of 2-amino-4-fluoro-1-benzothiophen-3-ol (CID 130820799) is 2-amino-4-fluoro-1-benzothiophen-3-ol.
What is the SMILES notation for 2-amino-4-fluoro-1-benzothiophen-3-ol?
The canonical SMILES for 2-amino-4-fluoro-1-benzothiophen-3-ol is Nc1sc2cccc(F)c2c1O.
What is the InChIKey of 2-amino-4-fluoro-1-benzothiophen-3-ol?
The InChIKey is IYMKDZJOGLCBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNOS/c9-4-2-1-3-5-6(4)7(11)8(10)12-5/h1-3,11H,10H2.
What are the key properties of 2-amino-4-fluoro-1-benzothiophen-3-ol?
2-amino-4-fluoro-1-benzothiophen-3-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-4-fluoro-1-benzothiophen-3-ol is sourced from PubChem (CID 130820799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).