5-fluoro-7-methoxy-1-benzothiophene

C9H7FOS — CID 22171159

IUPAC5-fluoro-7-methoxy-1-benzothiophene
SMILESCOc1cc(F)cc2ccsc12
InChIInChI=1S/C9H7FOS/c1-11-8-5-7(10)4-6-2-3-12-9(6)8/h2-5H,1H3
InChIKeyKPSGYDIXJRMMTN-UHFFFAOYSA-N
MW182.22 g/mol
LogP3.05
Rot. Bonds1

About 5-fluoro-7-methoxy-1-benzothiophene

5-fluoro-7-methoxy-1-benzothiophene (PubChem CID 22171159) has the molecular formula C9H7FOS and a molecular weight of 182.22 g/mol. Its IUPAC name is 5-fluoro-7-methoxy-1-benzothiophene.

Molecular Properties

Compound Name5-fluoro-7-methoxy-1-benzothiophene
PubChem CID22171159
Molecular FormulaC9H7FOS
Molecular Weight182.22 g/mol
Exact Mass182.02
IUPAC Name5-fluoro-7-methoxy-1-benzothiophene
SMILESCOc1cc(F)cc2ccsc12
InChIInChI=1S/C9H7FOS/c1-11-8-5-7(10)4-6-2-3-12-9(6)8/h2-5H,1H3
InChIKeyKPSGYDIXJRMMTN-UHFFFAOYSA-N
XLogP3.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-methoxy-1-benzothiophene?
The IUPAC name of 5-fluoro-7-methoxy-1-benzothiophene (CID 22171159) is 5-fluoro-7-methoxy-1-benzothiophene.
What is the SMILES notation for 5-fluoro-7-methoxy-1-benzothiophene?
The canonical SMILES for 5-fluoro-7-methoxy-1-benzothiophene is COc1cc(F)cc2ccsc12.
What is the InChIKey of 5-fluoro-7-methoxy-1-benzothiophene?
The InChIKey is KPSGYDIXJRMMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FOS/c1-11-8-5-7(10)4-6-2-3-12-9(6)8/h2-5H,1H3.
What are the key properties of 5-fluoro-7-methoxy-1-benzothiophene?
5-fluoro-7-methoxy-1-benzothiophene has a molecular weight of 182.22 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-methoxy-1-benzothiophene is sourced from PubChem (CID 22171159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).