2-fluoro-7-methoxy-1-benzothiophene

C9H7FOS — CID 22171216

IUPAC2-fluoro-7-methoxy-1-benzothiophene
SMILESCOc1cccc2cc(F)sc12
InChIInChI=1S/C9H7FOS/c1-11-7-4-2-3-6-5-8(10)12-9(6)7/h2-5H,1H3
InChIKeyVSPDYWSZYMJNPB-UHFFFAOYSA-N
MW182.22 g/mol
LogP3.05
Rot. Bonds1

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

2-fluoro-7-methoxy-1-benzothiophene (PubChem CID 22171216) has the molecular formula C9H7FOS and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-fluoro-7-methoxy-1-benzothiophene.

Molecular Properties

Compound Name2-fluoro-7-methoxy-1-benzothiophene
PubChem CID22171216
Molecular FormulaC9H7FOS
Molecular Weight182.22 g/mol
Exact Mass182.02
IUPAC Name2-fluoro-7-methoxy-1-benzothiophene
SMILESCOc1cccc2cc(F)sc12
InChIInChI=1S/C9H7FOS/c1-11-7-4-2-3-6-5-8(10)12-9(6)7/h2-5H,1H3
InChIKeyVSPDYWSZYMJNPB-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 2-fluoro-7-methoxy-1-benzothiophene?
The IUPAC name of 2-fluoro-7-methoxy-1-benzothiophene (CID 22171216) is 2-fluoro-7-methoxy-1-benzothiophene.
What is the SMILES notation for 2-fluoro-7-methoxy-1-benzothiophene?
The canonical SMILES for 2-fluoro-7-methoxy-1-benzothiophene is COc1cccc2cc(F)sc12.
What is the InChIKey of 2-fluoro-7-methoxy-1-benzothiophene?
The InChIKey is VSPDYWSZYMJNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FOS/c1-11-7-4-2-3-6-5-8(10)12-9(6)7/h2-5H,1H3.
What are the key properties of 2-fluoro-7-methoxy-1-benzothiophene?
2-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 2-fluoro-7-methoxy-1-benzothiophene is sourced from PubChem (CID 22171216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).