5-fluoro-3-methyl-1-benzothiophene

C9H7FS — CID 596828

IUPAC5-fluoro-3-methyl-1-benzothiophene
SMILESCc1csc2ccc(F)cc12
InChIInChI=1S/C9H7FS/c1-6-5-11-9-3-2-7(10)4-8(6)9/h2-5H,1H3
InChIKeyARYSXQXKEJNADL-UHFFFAOYSA-N
MW166.22 g/mol
LogP3.35
Rot. Bonds

About 5-fluoro-3-methyl-1-benzothiophene

5-fluoro-3-methyl-1-benzothiophene (PubChem CID 596828) has the molecular formula C9H7FS and a molecular weight of 166.22 g/mol. Its IUPAC name is 5-fluoro-3-methyl-1-benzothiophene.

Molecular Properties

Compound Name5-fluoro-3-methyl-1-benzothiophene
PubChem CID596828
Molecular FormulaC9H7FS
Molecular Weight166.22 g/mol
Exact Mass166.03
IUPAC Name5-fluoro-3-methyl-1-benzothiophene
SMILESCc1csc2ccc(F)cc12
InChIInChI=1S/C9H7FS/c1-6-5-11-9-3-2-7(10)4-8(6)9/h2-5H,1H3
InChIKeyARYSXQXKEJNADL-UHFFFAOYSA-N
XLogP3.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-1-benzothiophene?
The IUPAC name of 5-fluoro-3-methyl-1-benzothiophene (CID 596828) is 5-fluoro-3-methyl-1-benzothiophene.
What is the SMILES notation for 5-fluoro-3-methyl-1-benzothiophene?
The canonical SMILES for 5-fluoro-3-methyl-1-benzothiophene is Cc1csc2ccc(F)cc12.
What is the InChIKey of 5-fluoro-3-methyl-1-benzothiophene?
The InChIKey is ARYSXQXKEJNADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FS/c1-6-5-11-9-3-2-7(10)4-8(6)9/h2-5H,1H3.
What are the key properties of 5-fluoro-3-methyl-1-benzothiophene?
5-fluoro-3-methyl-1-benzothiophene has a molecular weight of 166.22 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-1-benzothiophene is sourced from PubChem (CID 596828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).