5-bromo-3-fluoro-1-benzothiophen-6-ol

C8H4BrFOS — CID 130961255

IUPAC5-bromo-3-fluoro-1-benzothiophen-6-ol
SMILESOc1cc2scc(F)c2cc1Br
InChIInChI=1S/C8H4BrFOS/c9-5-1-4-6(10)3-12-8(4)2-7(5)11/h1-3,11H
InChIKeyQASDHUXCUAGETF-UHFFFAOYSA-N
MW247.09 g/mol
LogP3.51
Rot. Bonds

About 5-bromo-3-fluoro-1-benzothiophen-6-ol

5-bromo-3-fluoro-1-benzothiophen-6-ol (PubChem CID 130961255) has the molecular formula C8H4BrFOS and a molecular weight of 247.09 g/mol. Its IUPAC name is 5-bromo-3-fluoro-1-benzothiophen-6-ol.

Molecular Properties

Compound Name5-bromo-3-fluoro-1-benzothiophen-6-ol
PubChem CID130961255
Molecular FormulaC8H4BrFOS
Molecular Weight247.09 g/mol
Exact Mass245.92
IUPAC Name5-bromo-3-fluoro-1-benzothiophen-6-ol
SMILESOc1cc2scc(F)c2cc1Br
InChIInChI=1S/C8H4BrFOS/c9-5-1-4-6(10)3-12-8(4)2-7(5)11/h1-3,11H
InChIKeyQASDHUXCUAGETF-UHFFFAOYSA-N
XLogP3.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.09
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(difluoromethyl)-3-fluoro-1-benzothiophen-5-ol
CID 130788372
3-fluoro-5-methoxy-1-benzothiophen-6-ol
CID 131150696
3-bromo-5-fluoro-1-benzothiophene-6-carboxylic acid
CID 130969510
5-chloro-3-fluoro-1-benzothiophen-7-ol
CID 130969635
5-(bromomethyl)-1-benzothiophene-3,6-diol
CID 131191603
3,7-dibromodibenzothiophene-2,8-diol
CID 58849626
3-bromo-6-fluoro-1-benzothiophene
CID 58817610
3-fluoro-5-iodo-1-benzothiophen-6-amine
CID 130788932
6-(difluoromethyl)-3-fluoro-1-benzothiophene-5-thiol
CID 130839684
2-bromodibenzothiophen-3-ol
CID 135277310
2-bromo-4-chloro-5-fluorophenol
CID 18997596
2-bromo-4-fluoro-5-methylphenol
CID 84672831

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoro-1-benzothiophen-6-ol?
The IUPAC name of 5-bromo-3-fluoro-1-benzothiophen-6-ol (CID 130961255) is 5-bromo-3-fluoro-1-benzothiophen-6-ol.
What is the SMILES notation for 5-bromo-3-fluoro-1-benzothiophen-6-ol?
The canonical SMILES for 5-bromo-3-fluoro-1-benzothiophen-6-ol is Oc1cc2scc(F)c2cc1Br.
What is the InChIKey of 5-bromo-3-fluoro-1-benzothiophen-6-ol?
The InChIKey is QASDHUXCUAGETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrFOS/c9-5-1-4-6(10)3-12-8(4)2-7(5)11/h1-3,11H.
What are the key properties of 5-bromo-3-fluoro-1-benzothiophen-6-ol?
5-bromo-3-fluoro-1-benzothiophen-6-ol has a molecular weight of 247.09 g/mol, XLogP of 3.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-fluoro-1-benzothiophen-6-ol is sourced from PubChem (CID 130961255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).