3-bromo-4-fluoro-1-benzothiophen-7-ol

C8H4BrFOS — CID 131053544

IUPAC3-bromo-4-fluoro-1-benzothiophen-7-ol
SMILESOc1ccc(F)c2c(Br)csc12
InChIInChI=1S/C8H4BrFOS/c9-4-3-12-8-6(11)2-1-5(10)7(4)8/h1-3,11H
InChIKeyYOJXCUVJLQQLKD-UHFFFAOYSA-N
MW247.09 g/mol
LogP3.51
Rot. Bonds

About 3-bromo-4-fluoro-1-benzothiophen-7-ol

3-bromo-4-fluoro-1-benzothiophen-7-ol (PubChem CID 131053544) has the molecular formula C8H4BrFOS and a molecular weight of 247.09 g/mol. Its IUPAC name is 3-bromo-4-fluoro-1-benzothiophen-7-ol.

Molecular Properties

Compound Name3-bromo-4-fluoro-1-benzothiophen-7-ol
PubChem CID131053544
Molecular FormulaC8H4BrFOS
Molecular Weight247.09 g/mol
Exact Mass245.92
IUPAC Name3-bromo-4-fluoro-1-benzothiophen-7-ol
SMILESOc1ccc(F)c2c(Br)csc12
InChIInChI=1S/C8H4BrFOS/c9-4-3-12-8-6(11)2-1-5(10)7(4)8/h1-3,11H
InChIKeyYOJXCUVJLQQLKD-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

4-bromo-3-fluoro-1-benzothiophene-7-carboxylic acid
CID 131053844
3-methylsulfanyl-1-benzothiophene-4,7-diol
CID 130969427
7-(chloromethyl)-3-fluoro-1-benzothiophen-4-ol
CID 131060182
4,7-difluoro-1-benzothiophene-3-thiol
CID 130865976
4-(bromomethyl)-3-chloro-1-benzothiophen-7-ol
CID 130792308
3,7-dihydroxy-1-benzothiophene-4-carbaldehyde
CID 130839061
3,4-dibromo-1-benzothiophene-7-carboxylic acid
CID 131196733
2,4-difluorobenzene-1,3-diol
CID 10844515
3-bromo-7-(bromomethyl)-1-benzothiophen-6-ol
CID 131060149
5-amino-4,8-difluoronaphthalen-1-ol
CID 18457395
3-bromo-6-fluorobenzene-1,2-diol
CID 45093034
5-bromo-3-fluoro-1-benzothiophen-6-ol
CID 130961255

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-1-benzothiophen-7-ol?
The IUPAC name of 3-bromo-4-fluoro-1-benzothiophen-7-ol (CID 131053544) is 3-bromo-4-fluoro-1-benzothiophen-7-ol.
What is the SMILES notation for 3-bromo-4-fluoro-1-benzothiophen-7-ol?
The canonical SMILES for 3-bromo-4-fluoro-1-benzothiophen-7-ol is Oc1ccc(F)c2c(Br)csc12.
What is the InChIKey of 3-bromo-4-fluoro-1-benzothiophen-7-ol?
The InChIKey is YOJXCUVJLQQLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrFOS/c9-4-3-12-8-6(11)2-1-5(10)7(4)8/h1-3,11H.
What are the key properties of 3-bromo-4-fluoro-1-benzothiophen-7-ol?
3-bromo-4-fluoro-1-benzothiophen-7-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 3-bromo-4-fluoro-1-benzothiophen-7-ol is sourced from PubChem (CID 131053544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).