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

C10H9FOS — CID 131091519

IUPAC5-fluoro-6-methoxy-2-methyl-1-benzothiophene
SMILESCOc1cc2sc(C)cc2cc1F
InChIInChI=1S/C10H9FOS/c1-6-3-7-4-8(11)9(12-2)5-10(7)13-6/h3-5H,1-2H3
InChIKeyOFEJLTJHUDDOPC-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.36
Rot. Bonds1

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

5-fluoro-6-methoxy-2-methyl-1-benzothiophene (PubChem CID 131091519) has the molecular formula C10H9FOS and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-fluoro-6-methoxy-2-methyl-1-benzothiophene.

Molecular Properties

Compound Name5-fluoro-6-methoxy-2-methyl-1-benzothiophene
PubChem CID131091519
Molecular FormulaC10H9FOS
Molecular Weight196.25 g/mol
Exact Mass196.04
IUPAC Name5-fluoro-6-methoxy-2-methyl-1-benzothiophene
SMILESCOc1cc2sc(C)cc2cc1F
InChIInChI=1S/C10H9FOS/c1-6-3-7-4-8(11)9(12-2)5-10(7)13-6/h3-5H,1-2H3
InChIKeyOFEJLTJHUDDOPC-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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Related Compounds

6-fluoro-5-methoxy-2-methyl-1-benzothiophene
CID 90429351
5,6-difluoro-2-methyl-1-benzothiophene
CID 131029418
5-fluoro-6-methoxy-N,N-dimethyl-1-benzothiophen-2-amine
CID 10775569
methyl 5-fluoro-6-methoxy-1-benzothiophene-2-carboxylate
CID 162421029
6-chloro-5-fluoro-2-methyl-1-benzothiophene
CID 20759995
CID 90399016
CID 90399016
5-fluoro-3-iodo-6-methoxy-1-benzothiophene
CID 131169453
6-fluoro-5-methoxy-3-methyl-1-benzothiophene-2-carbaldehyde
CID 82374297
5-fluoro-6-methoxy-2-methyl-1H-indole;methyl formate
CID 144996572
5-chloro-2-methyl-1-benzothiophene
CID 2747689
6-(chloromethyl)-5-fluoro-2-methoxy-1-benzothiophene
CID 131034414
6-methoxy-5-methylsulfanyl-1-benzothiophene-2-thiol
CID 130855311

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methoxy-2-methyl-1-benzothiophene?
The IUPAC name of 5-fluoro-6-methoxy-2-methyl-1-benzothiophene (CID 131091519) is 5-fluoro-6-methoxy-2-methyl-1-benzothiophene.
What is the SMILES notation for 5-fluoro-6-methoxy-2-methyl-1-benzothiophene?
The canonical SMILES for 5-fluoro-6-methoxy-2-methyl-1-benzothiophene is COc1cc2sc(C)cc2cc1F.
What is the InChIKey of 5-fluoro-6-methoxy-2-methyl-1-benzothiophene?
The InChIKey is OFEJLTJHUDDOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FOS/c1-6-3-7-4-8(11)9(12-2)5-10(7)13-6/h3-5H,1-2H3.
What are the key properties of 5-fluoro-6-methoxy-2-methyl-1-benzothiophene?
5-fluoro-6-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 5-fluoro-6-methoxy-2-methyl-1-benzothiophene is sourced from PubChem (CID 131091519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).