7-bromo-3-fluoro-2-methoxy-1-benzothiophene

C9H6BrFOS — CID 130792062

IUPAC7-bromo-3-fluoro-2-methoxy-1-benzothiophene
SMILESCOc1sc2c(Br)cccc2c1F
InChIInChI=1S/C9H6BrFOS/c1-12-9-7(11)5-3-2-4-6(10)8(5)13-9/h2-4H,1H3
InChIKeyUEAIONMDXQOSSM-UHFFFAOYSA-N
MW261.12 g/mol
LogP3.81
Rot. Bonds1

About 7-bromo-3-fluoro-2-methoxy-1-benzothiophene

7-bromo-3-fluoro-2-methoxy-1-benzothiophene (PubChem CID 130792062) has the molecular formula C9H6BrFOS and a molecular weight of 261.12 g/mol. Its IUPAC name is 7-bromo-3-fluoro-2-methoxy-1-benzothiophene.

Molecular Properties

Compound Name7-bromo-3-fluoro-2-methoxy-1-benzothiophene
PubChem CID130792062
Molecular FormulaC9H6BrFOS
Molecular Weight261.12 g/mol
Exact Mass259.93
IUPAC Name7-bromo-3-fluoro-2-methoxy-1-benzothiophene
SMILESCOc1sc2c(Br)cccc2c1F
InChIInChI=1S/C9H6BrFOS/c1-12-9-7(11)5-3-2-4-6(10)8(5)13-9/h2-4H,1H3
InChIKeyUEAIONMDXQOSSM-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 7-bromo-3-fluoro-2-methoxy-1-benzothiophene?
The IUPAC name of 7-bromo-3-fluoro-2-methoxy-1-benzothiophene (CID 130792062) is 7-bromo-3-fluoro-2-methoxy-1-benzothiophene.
What is the SMILES notation for 7-bromo-3-fluoro-2-methoxy-1-benzothiophene?
The canonical SMILES for 7-bromo-3-fluoro-2-methoxy-1-benzothiophene is COc1sc2c(Br)cccc2c1F.
What is the InChIKey of 7-bromo-3-fluoro-2-methoxy-1-benzothiophene?
The InChIKey is UEAIONMDXQOSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFOS/c1-12-9-7(11)5-3-2-4-6(10)8(5)13-9/h2-4H,1H3.
What are the key properties of 7-bromo-3-fluoro-2-methoxy-1-benzothiophene?
7-bromo-3-fluoro-2-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 7-bromo-3-fluoro-2-methoxy-1-benzothiophene is sourced from PubChem (CID 130792062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).