7-fluoro-6-methoxy-1-benzothiophene

C9H7FOS — CID 83915045

IUPAC7-fluoro-6-methoxy-1-benzothiophene
SMILESCOc1ccc2ccsc2c1F
InChIInChI=1S/C9H7FOS/c1-11-7-3-2-6-4-5-12-9(6)8(7)10/h2-5H,1H3
InChIKeyKQWVGACAXRTAEN-UHFFFAOYSA-N
MW182.22 g/mol
LogP3.05
Rot. Bonds1

About 7-fluoro-6-methoxy-1-benzothiophene

7-fluoro-6-methoxy-1-benzothiophene (PubChem CID 83915045) has the molecular formula C9H7FOS and a molecular weight of 182.22 g/mol. Its IUPAC name is 7-fluoro-6-methoxy-1-benzothiophene.

Molecular Properties

Compound Name7-fluoro-6-methoxy-1-benzothiophene
PubChem CID83915045
Molecular FormulaC9H7FOS
Molecular Weight182.22 g/mol
Exact Mass182.02
IUPAC Name7-fluoro-6-methoxy-1-benzothiophene
SMILESCOc1ccc2ccsc2c1F
InChIInChI=1S/C9H7FOS/c1-11-7-3-2-6-4-5-12-9(6)8(7)10/h2-5H,1H3
InChIKeyKQWVGACAXRTAEN-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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Related Compounds

Benzo(b)thiophene-6-ol
CID 88004
6-Ethoxy-1-benzothiophene-3-ol
CID 230983
6-Methoxy-2-(4-methoxyphenyl)benzo[b]thiophene
CID 850941
3-[(E)-2-(4-methoxyphenyl)ethenyl]thiophene
CID 11820631
6-Methoxy-1-benzothiophene-2-sulfonamide
CID 13922809
2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-thiophen-2-ylthiophene
CID 46850581
3-(4-Methoxyphenyl)-1-benzothiophene
CID 3358921
5-Methoxy-1-benzothiophene
CID 3632425
4-Methoxy-benzo(b)thiophene
CID 12623869
3-(2-Fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-benzothiophene
CID 53301498
1-Benzothiophen-6-yl ethyl ether
CID 268617
Benzo[b]thiophene, 3-methoxy-
CID 11240674

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-methoxy-1-benzothiophene?
The IUPAC name of 7-fluoro-6-methoxy-1-benzothiophene (CID 83915045) is 7-fluoro-6-methoxy-1-benzothiophene.
What is the SMILES notation for 7-fluoro-6-methoxy-1-benzothiophene?
The canonical SMILES for 7-fluoro-6-methoxy-1-benzothiophene is COc1ccc2ccsc2c1F.
What is the InChIKey of 7-fluoro-6-methoxy-1-benzothiophene?
The InChIKey is KQWVGACAXRTAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FOS/c1-11-7-3-2-6-4-5-12-9(6)8(7)10/h2-5H,1H3.
What are the key properties of 7-fluoro-6-methoxy-1-benzothiophene?
7-fluoro-6-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 7-fluoro-6-methoxy-1-benzothiophene is sourced from PubChem (CID 83915045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).