7-fluoro-4-methyl-1-benzothiophene

C9H7FS — CID 66644704

IUPAC7-fluoro-4-methyl-1-benzothiophene
SMILESCc1ccc(F)c2sccc12
InChIInChI=1S/C9H7FS/c1-6-2-3-8(10)9-7(6)4-5-11-9/h2-5H,1H3
InChIKeyOSTKVPQDRZPBNF-UHFFFAOYSA-N
MW166.22 g/mol
LogP3.35
Rot. Bonds

About 7-fluoro-4-methyl-1-benzothiophene

7-fluoro-4-methyl-1-benzothiophene (PubChem CID 66644704) has the molecular formula C9H7FS and a molecular weight of 166.22 g/mol. Its IUPAC name is 7-fluoro-4-methyl-1-benzothiophene.

Molecular Properties

Compound Name7-fluoro-4-methyl-1-benzothiophene
PubChem CID66644704
Molecular FormulaC9H7FS
Molecular Weight166.22 g/mol
Exact Mass166.03
IUPAC Name7-fluoro-4-methyl-1-benzothiophene
SMILESCc1ccc(F)c2sccc12
InChIInChI=1S/C9H7FS/c1-6-2-3-8(10)9-7(6)4-5-11-9/h2-5H,1H3
InChIKeyOSTKVPQDRZPBNF-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

Analyze 7-fluoro-4-methyl-1-benzothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-methyl-1-benzothiophene?
The IUPAC name of 7-fluoro-4-methyl-1-benzothiophene (CID 66644704) is 7-fluoro-4-methyl-1-benzothiophene.
What is the SMILES notation for 7-fluoro-4-methyl-1-benzothiophene?
The canonical SMILES for 7-fluoro-4-methyl-1-benzothiophene is Cc1ccc(F)c2sccc12.
What is the InChIKey of 7-fluoro-4-methyl-1-benzothiophene?
The InChIKey is OSTKVPQDRZPBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FS/c1-6-2-3-8(10)9-7(6)4-5-11-9/h2-5H,1H3.
What are the key properties of 7-fluoro-4-methyl-1-benzothiophene?
7-fluoro-4-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 7-fluoro-4-methyl-1-benzothiophene is sourced from PubChem (CID 66644704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).