2-bromo-4-fluoro-5-iodo-1-benzothiophene

C8H3BrFIS — CID 130805978

IUPAC2-bromo-4-fluoro-5-iodo-1-benzothiophene
SMILESFc1c(I)ccc2sc(Br)cc12
InChIInChI=1S/C8H3BrFIS/c9-7-3-4-6(12-7)2-1-5(11)8(4)10/h1-3H
InChIKeyDRWQSCIXQINIHE-UHFFFAOYSA-N
MW356.99 g/mol
LogP4.41
Rot. Bonds

About 2-bromo-4-fluoro-5-iodo-1-benzothiophene

2-bromo-4-fluoro-5-iodo-1-benzothiophene (PubChem CID 130805978) has the molecular formula C8H3BrFIS and a molecular weight of 356.99 g/mol. Its IUPAC name is 2-bromo-4-fluoro-5-iodo-1-benzothiophene.

Molecular Properties

Compound Name2-bromo-4-fluoro-5-iodo-1-benzothiophene
PubChem CID130805978
Molecular FormulaC8H3BrFIS
Molecular Weight356.99 g/mol
Exact Mass355.82
IUPAC Name2-bromo-4-fluoro-5-iodo-1-benzothiophene
SMILESFc1c(I)ccc2sc(Br)cc12
InChIInChI=1S/C8H3BrFIS/c9-7-3-4-6(12-7)2-1-5(11)8(4)10/h1-3H
InChIKeyDRWQSCIXQINIHE-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.99
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-5-iodo-1-benzothiophene?
The IUPAC name of 2-bromo-4-fluoro-5-iodo-1-benzothiophene (CID 130805978) is 2-bromo-4-fluoro-5-iodo-1-benzothiophene.
What is the SMILES notation for 2-bromo-4-fluoro-5-iodo-1-benzothiophene?
The canonical SMILES for 2-bromo-4-fluoro-5-iodo-1-benzothiophene is Fc1c(I)ccc2sc(Br)cc12.
What is the InChIKey of 2-bromo-4-fluoro-5-iodo-1-benzothiophene?
The InChIKey is DRWQSCIXQINIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrFIS/c9-7-3-4-6(12-7)2-1-5(11)8(4)10/h1-3H.
What are the key properties of 2-bromo-4-fluoro-5-iodo-1-benzothiophene?
2-bromo-4-fluoro-5-iodo-1-benzothiophene has a molecular weight of 356.99 g/mol, XLogP of 4.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-5-iodo-1-benzothiophene is sourced from PubChem (CID 130805978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).