5-bromo-2-fluoro-1-benzothiophene

C8H4BrFS — CID 70982915

IUPAC5-bromo-2-fluoro-1-benzothiophene
SMILESFc1cc2cc(Br)ccc2s1
InChIInChI=1S/C8H4BrFS/c9-6-1-2-7-5(3-6)4-8(10)11-7/h1-4H
InChIKeyKIWRIZXZOIOARR-UHFFFAOYSA-N
MW231.09 g/mol
LogP3.80
Rot. Bonds

About 5-bromo-2-fluoro-1-benzothiophene

5-bromo-2-fluoro-1-benzothiophene (PubChem CID 70982915) has the molecular formula C8H4BrFS and a molecular weight of 231.09 g/mol. Its IUPAC name is 5-bromo-2-fluoro-1-benzothiophene.

Molecular Properties

Compound Name5-bromo-2-fluoro-1-benzothiophene
PubChem CID70982915
Molecular FormulaC8H4BrFS
Molecular Weight231.09 g/mol
Exact Mass229.92
IUPAC Name5-bromo-2-fluoro-1-benzothiophene
SMILESFc1cc2cc(Br)ccc2s1
InChIInChI=1S/C8H4BrFS/c9-6-1-2-7-5(3-6)4-8(10)11-7/h1-4H
InChIKeyKIWRIZXZOIOARR-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-1-benzothiophene?
The IUPAC name of 5-bromo-2-fluoro-1-benzothiophene (CID 70982915) is 5-bromo-2-fluoro-1-benzothiophene.
What is the SMILES notation for 5-bromo-2-fluoro-1-benzothiophene?
The canonical SMILES for 5-bromo-2-fluoro-1-benzothiophene is Fc1cc2cc(Br)ccc2s1.
What is the InChIKey of 5-bromo-2-fluoro-1-benzothiophene?
The InChIKey is KIWRIZXZOIOARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrFS/c9-6-1-2-7-5(3-6)4-8(10)11-7/h1-4H.
What are the key properties of 5-bromo-2-fluoro-1-benzothiophene?
5-bromo-2-fluoro-1-benzothiophene has a molecular weight of 231.09 g/mol, XLogP of 3.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-1-benzothiophene is sourced from PubChem (CID 70982915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).