6-fluoro-5-methoxy-2-methyl-1-benzothiophene

C10H9FOS — CID 90429351

IUPAC6-fluoro-5-methoxy-2-methyl-1-benzothiophene
SMILESCOc1cc2cc(C)sc2cc1F
InChIInChI=1S/C10H9FOS/c1-6-3-7-4-9(12-2)8(11)5-10(7)13-6/h3-5H,1-2H3
InChIKeyOJPSRDYXICFRDZ-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.36
Rot. Bonds1

About 6-fluoro-5-methoxy-2-methyl-1-benzothiophene

6-fluoro-5-methoxy-2-methyl-1-benzothiophene (PubChem CID 90429351) has the molecular formula C10H9FOS and a molecular weight of 196.25 g/mol. Its IUPAC name is 6-fluoro-5-methoxy-2-methyl-1-benzothiophene.

Molecular Properties

Compound Name6-fluoro-5-methoxy-2-methyl-1-benzothiophene
PubChem CID90429351
Molecular FormulaC10H9FOS
Molecular Weight196.25 g/mol
Exact Mass196.04
IUPAC Name6-fluoro-5-methoxy-2-methyl-1-benzothiophene
SMILESCOc1cc2cc(C)sc2cc1F
InChIInChI=1S/C10H9FOS/c1-6-3-7-4-9(12-2)8(11)5-10(7)13-6/h3-5H,1-2H3
InChIKeyOJPSRDYXICFRDZ-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-methoxy-2-methyl-1-benzothiophene?
The IUPAC name of 6-fluoro-5-methoxy-2-methyl-1-benzothiophene (CID 90429351) is 6-fluoro-5-methoxy-2-methyl-1-benzothiophene.
What is the SMILES notation for 6-fluoro-5-methoxy-2-methyl-1-benzothiophene?
The canonical SMILES for 6-fluoro-5-methoxy-2-methyl-1-benzothiophene is COc1cc2cc(C)sc2cc1F.
What is the InChIKey of 6-fluoro-5-methoxy-2-methyl-1-benzothiophene?
The InChIKey is OJPSRDYXICFRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FOS/c1-6-3-7-4-9(12-2)8(11)5-10(7)13-6/h3-5H,1-2H3.
What are the key properties of 6-fluoro-5-methoxy-2-methyl-1-benzothiophene?
6-fluoro-5-methoxy-2-methyl-1-benzothiophene has a molecular weight of 196.25 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-methoxy-2-methyl-1-benzothiophene is sourced from PubChem (CID 90429351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).