2-(4-fluoro-2-methylphenyl)-3-methylthiophene

C12H11FS — CID 70359912

IUPAC2-(4-fluoro-2-methylphenyl)-3-methylthiophene
SMILESCc1cc(F)ccc1-c1sccc1C
InChIInChI=1S/C12H11FS/c1-8-5-6-14-12(8)11-4-3-10(13)7-9(11)2/h3-7H,1-2H3
InChIKeyJOHBOLSZDQHBQZ-UHFFFAOYSA-N
MW206.28 g/mol
LogP4.17
Rot. Bonds1

About 2-(4-fluoro-2-methylphenyl)-3-methylthiophene

2-(4-fluoro-2-methylphenyl)-3-methylthiophene (PubChem CID 70359912) has the molecular formula C12H11FS and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-3-methylthiophene.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-3-methylthiophene
PubChem CID70359912
Molecular FormulaC12H11FS
Molecular Weight206.28 g/mol
Exact Mass206.06
IUPAC Name2-(4-fluoro-2-methylphenyl)-3-methylthiophene
SMILESCc1cc(F)ccc1-c1sccc1C
InChIInChI=1S/C12H11FS/c1-8-5-6-14-12(8)11-4-3-10(13)7-9(11)2/h3-7H,1-2H3
InChIKeyJOHBOLSZDQHBQZ-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(4-fluoro-2-methylphenyl)-3-methylthiophene 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 2-(4-fluoro-2-methylphenyl)-3-methylthiophene?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-3-methylthiophene (CID 70359912) is 2-(4-fluoro-2-methylphenyl)-3-methylthiophene.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-3-methylthiophene?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-3-methylthiophene is Cc1cc(F)ccc1-c1sccc1C.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-3-methylthiophene?
The InChIKey is JOHBOLSZDQHBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FS/c1-8-5-6-14-12(8)11-4-3-10(13)7-9(11)2/h3-7H,1-2H3.
What are the key properties of 2-(4-fluoro-2-methylphenyl)-3-methylthiophene?
2-(4-fluoro-2-methylphenyl)-3-methylthiophene has a molecular weight of 206.28 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-3-methylthiophene is sourced from PubChem (CID 70359912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).