7-fluoro-2-methoxy-3-methyl-1-benzothiophene

C10H9FOS — CID 131098387

IUPAC7-fluoro-2-methoxy-3-methyl-1-benzothiophene
SMILESCOc1sc2c(F)cccc2c1C
InChIInChI=1S/C10H9FOS/c1-6-7-4-3-5-8(11)9(7)13-10(6)12-2/h3-5H,1-2H3
InChIKeyJWGAOFLYMWZQDA-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.36
Rot. Bonds1

About 7-fluoro-2-methoxy-3-methyl-1-benzothiophene

7-fluoro-2-methoxy-3-methyl-1-benzothiophene (PubChem CID 131098387) has the molecular formula C10H9FOS and a molecular weight of 196.25 g/mol. Its IUPAC name is 7-fluoro-2-methoxy-3-methyl-1-benzothiophene.

Molecular Properties

Compound Name7-fluoro-2-methoxy-3-methyl-1-benzothiophene
PubChem CID131098387
Molecular FormulaC10H9FOS
Molecular Weight196.25 g/mol
Exact Mass196.04
IUPAC Name7-fluoro-2-methoxy-3-methyl-1-benzothiophene
SMILESCOc1sc2c(F)cccc2c1C
InChIInChI=1S/C10H9FOS/c1-6-7-4-3-5-8(11)9(7)13-10(6)12-2/h3-5H,1-2H3
InChIKeyJWGAOFLYMWZQDA-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

7-bromo-2-methoxy-3-methyl-1-benzothiophene
CID 130914555
2-bromo-7-fluoro-3-methyl-1-benzothiophene
CID 131080274
7-fluoro-3-methyl-1-benzothiophene-2-carbaldehyde
CID 82374290
(7-fluoro-3-methoxy-1-benzothiophen-2-yl)methanamine
CID 112546161
3-chloro-2,7-difluoro-1-benzothiophene
CID 130926138
7-fluoro-2,3-diiodo-1-benzothiophene
CID 130925510
7-bromo-2-methoxy-3-methylsulfanyl-1-benzothiophene
CID 130985434
2-chloro-7-fluoro-1-benzothiophene-3-thiol
CID 131191064
3-tert-butyl-4,6-difluorodibenzothiophene
CID 153242561
4-fluorothioxanthen-9-one
CID 54319807
7-bromo-3-(chloromethyl)-2-methoxy-1-benzothiophene
CID 130839726
3-bromo-7-ethyl-2-methoxy-1-benzothiophene
CID 130785943

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methoxy-3-methyl-1-benzothiophene?
The IUPAC name of 7-fluoro-2-methoxy-3-methyl-1-benzothiophene (CID 131098387) is 7-fluoro-2-methoxy-3-methyl-1-benzothiophene.
What is the SMILES notation for 7-fluoro-2-methoxy-3-methyl-1-benzothiophene?
The canonical SMILES for 7-fluoro-2-methoxy-3-methyl-1-benzothiophene is COc1sc2c(F)cccc2c1C.
What is the InChIKey of 7-fluoro-2-methoxy-3-methyl-1-benzothiophene?
The InChIKey is JWGAOFLYMWZQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FOS/c1-6-7-4-3-5-8(11)9(7)13-10(6)12-2/h3-5H,1-2H3.
What are the key properties of 7-fluoro-2-methoxy-3-methyl-1-benzothiophene?
7-fluoro-2-methoxy-3-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 7-fluoro-2-methoxy-3-methyl-1-benzothiophene is sourced from PubChem (CID 131098387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).