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

C8H6FNOS — CID 131169647

IUPAC7-amino-5-fluoro-1-benzothiophen-2-ol
SMILESNc1cc(F)cc2cc(O)sc12
InChIInChI=1S/C8H6FNOS/c9-5-1-4-2-7(11)12-8(4)6(10)3-5/h1-3,11H,10H2
InChIKeyYFSINZNUWISWII-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.33
Rot. Bonds

About 7-amino-5-fluoro-1-benzothiophen-2-ol

7-amino-5-fluoro-1-benzothiophen-2-ol (PubChem CID 131169647) has the molecular formula C8H6FNOS and a molecular weight of 183.21 g/mol. Its IUPAC name is 7-amino-5-fluoro-1-benzothiophen-2-ol.

Molecular Properties

Compound Name7-amino-5-fluoro-1-benzothiophen-2-ol
PubChem CID131169647
Molecular FormulaC8H6FNOS
Molecular Weight183.21 g/mol
Exact Mass183.02
IUPAC Name7-amino-5-fluoro-1-benzothiophen-2-ol
SMILESNc1cc(F)cc2cc(O)sc12
InChIInChI=1S/C8H6FNOS/c9-5-1-4-2-7(11)12-8(4)6(10)3-5/h1-3,11H,10H2
InChIKeyYFSINZNUWISWII-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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Related Compounds

7-amino-5-sulfanyl-1-benzothiophen-2-ol
CID 130821031
(7-amino-2-fluoro-1-benzothiophen-5-yl)methanol
CID 130788720
5,7-dibromo-1-benzothiophen-2-ol
CID 131059860
2-amino-6-chloro-4-fluorophenol
CID 11275173
5-amino-6-methyl-1-benzothiophen-2-ol
CID 130788839
6-amino-5-methyl-1-benzothiophen-2-ol
CID 130788844
7-amino-2-hydroxy-1-benzothiophene-6-carboxylic acid
CID 131034306
2-chloro-1-benzothiophene-5,7-diamine
CID 131080471
2,5,7-trifluoro-1-benzothiophene
CID 130786065
6-fluoro-1,3-benzothiazol-4-amine
CID 53412806
2-chloro-5-methyl-1-benzothiophen-7-amine
CID 131034093
2-(bromomethyl)-5-methylsulfanyl-1-benzothiophen-7-amine
CID 131053468

Frequently Asked Questions

What is the IUPAC name of 7-amino-5-fluoro-1-benzothiophen-2-ol?
The IUPAC name of 7-amino-5-fluoro-1-benzothiophen-2-ol (CID 131169647) is 7-amino-5-fluoro-1-benzothiophen-2-ol.
What is the SMILES notation for 7-amino-5-fluoro-1-benzothiophen-2-ol?
The canonical SMILES for 7-amino-5-fluoro-1-benzothiophen-2-ol is Nc1cc(F)cc2cc(O)sc12.
What is the InChIKey of 7-amino-5-fluoro-1-benzothiophen-2-ol?
The InChIKey is YFSINZNUWISWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNOS/c9-5-1-4-2-7(11)12-8(4)6(10)3-5/h1-3,11H,10H2.
What are the key properties of 7-amino-5-fluoro-1-benzothiophen-2-ol?
7-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 7-amino-5-fluoro-1-benzothiophen-2-ol is sourced from PubChem (CID 131169647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).