7-bromo-2-fluoro-1-benzothiophen-6-ol

C8H4BrFOS — CID 130854965

IUPAC7-bromo-2-fluoro-1-benzothiophen-6-ol
SMILESOc1ccc2cc(F)sc2c1Br
InChIInChI=1S/C8H4BrFOS/c9-7-5(11)2-1-4-3-6(10)12-8(4)7/h1-3,11H
InChIKeyFZLNCKFMIILMRE-UHFFFAOYSA-N
MW247.09 g/mol
LogP3.51
Rot. Bonds

About 7-bromo-2-fluoro-1-benzothiophen-6-ol

7-bromo-2-fluoro-1-benzothiophen-6-ol (PubChem CID 130854965) has the molecular formula C8H4BrFOS and a molecular weight of 247.09 g/mol. Its IUPAC name is 7-bromo-2-fluoro-1-benzothiophen-6-ol.

Molecular Properties

Compound Name7-bromo-2-fluoro-1-benzothiophen-6-ol
PubChem CID130854965
Molecular FormulaC8H4BrFOS
Molecular Weight247.09 g/mol
Exact Mass245.92
IUPAC Name7-bromo-2-fluoro-1-benzothiophen-6-ol
SMILESOc1ccc2cc(F)sc2c1Br
InChIInChI=1S/C8H4BrFOS/c9-7-5(11)2-1-4-3-6(10)12-8(4)7/h1-3,11H
InChIKeyFZLNCKFMIILMRE-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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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-fluoro-1-benzothiophen-6-ol?
The IUPAC name of 7-bromo-2-fluoro-1-benzothiophen-6-ol (CID 130854965) is 7-bromo-2-fluoro-1-benzothiophen-6-ol.
What is the SMILES notation for 7-bromo-2-fluoro-1-benzothiophen-6-ol?
The canonical SMILES for 7-bromo-2-fluoro-1-benzothiophen-6-ol is Oc1ccc2cc(F)sc2c1Br.
What is the InChIKey of 7-bromo-2-fluoro-1-benzothiophen-6-ol?
The InChIKey is FZLNCKFMIILMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrFOS/c9-7-5(11)2-1-4-3-6(10)12-8(4)7/h1-3,11H.
What are the key properties of 7-bromo-2-fluoro-1-benzothiophen-6-ol?
7-bromo-2-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 7-bromo-2-fluoro-1-benzothiophen-6-ol is sourced from PubChem (CID 130854965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).