2-bromo-4-fluoro-7-methoxy-1-benzothiophene

C9H6BrFOS — CID 83920141

IUPAC2-bromo-4-fluoro-7-methoxy-1-benzothiophene
SMILESCOc1ccc(F)c2cc(Br)sc12
InChIInChI=1S/C9H6BrFOS/c1-12-7-3-2-6(11)5-4-8(10)13-9(5)7/h2-4H,1H3
InChIKeyQEZYVOSLJRJZHI-UHFFFAOYSA-N
MW261.12 g/mol
LogP3.81
Rot. Bonds1

About 2-bromo-4-fluoro-7-methoxy-1-benzothiophene

2-bromo-4-fluoro-7-methoxy-1-benzothiophene (PubChem CID 83920141) has the molecular formula C9H6BrFOS and a molecular weight of 261.12 g/mol. Its IUPAC name is 2-bromo-4-fluoro-7-methoxy-1-benzothiophene.

Molecular Properties

Compound Name2-bromo-4-fluoro-7-methoxy-1-benzothiophene
PubChem CID83920141
Molecular FormulaC9H6BrFOS
Molecular Weight261.12 g/mol
Exact Mass259.93
IUPAC Name2-bromo-4-fluoro-7-methoxy-1-benzothiophene
SMILESCOc1ccc(F)c2cc(Br)sc12
InChIInChI=1S/C9H6BrFOS/c1-12-7-3-2-6(11)5-4-8(10)13-9(5)7/h2-4H,1H3
InChIKeyQEZYVOSLJRJZHI-UHFFFAOYSA-N
XLogP3.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-7-methoxy-1-benzothiophene?
The IUPAC name of 2-bromo-4-fluoro-7-methoxy-1-benzothiophene (CID 83920141) is 2-bromo-4-fluoro-7-methoxy-1-benzothiophene.
What is the SMILES notation for 2-bromo-4-fluoro-7-methoxy-1-benzothiophene?
The canonical SMILES for 2-bromo-4-fluoro-7-methoxy-1-benzothiophene is COc1ccc(F)c2cc(Br)sc12.
What is the InChIKey of 2-bromo-4-fluoro-7-methoxy-1-benzothiophene?
The InChIKey is QEZYVOSLJRJZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFOS/c1-12-7-3-2-6(11)5-4-8(10)13-9(5)7/h2-4H,1H3.
What are the key properties of 2-bromo-4-fluoro-7-methoxy-1-benzothiophene?
2-bromo-4-fluoro-7-methoxy-1-benzothiophene has a molecular weight of 261.12 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-7-methoxy-1-benzothiophene is sourced from PubChem (CID 83920141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).