2-fluoro-6-[methyl(thiophen-2-yl)amino]benzonitrile

C12H9FN2S — CID 67268549

IUPAC2-fluoro-6-[methyl(thiophen-2-yl)amino]benzonitrile
SMILESCN(c1cccs1)c1cccc(F)c1C#N
InChIInChI=1S/C12H9FN2S/c1-15(12-6-3-7-16-12)11-5-2-4-10(13)9(11)8-14/h2-7H,1H3
InChIKeyIVICBOIXNFIDGA-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.53
Rot. Bonds2

About 2-fluoro-6-[methyl(thiophen-2-yl)amino]benzonitrile

2-fluoro-6-[methyl(thiophen-2-yl)amino]benzonitrile (PubChem CID 67268549) has the molecular formula C12H9FN2S and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-fluoro-6-[methyl(thiophen-2-yl)amino]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[methyl(thiophen-2-yl)amino]benzonitrile
PubChem CID67268549
Molecular FormulaC12H9FN2S
Molecular Weight232.28 g/mol
Exact Mass232.05
IUPAC Name2-fluoro-6-[methyl(thiophen-2-yl)amino]benzonitrile
SMILESCN(c1cccs1)c1cccc(F)c1C#N
InChIInChI=1S/C12H9FN2S/c1-15(12-6-3-7-16-12)11-5-2-4-10(13)9(11)8-14/h2-7H,1H3
InChIKeyIVICBOIXNFIDGA-UHFFFAOYSA-N
XLogP3.53
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-6-[methyl(thiophen-2-yl)amino]benzonitrile 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-fluoro-6-[methyl(thiophen-2-yl)amino]benzonitrile?
The IUPAC name of 2-fluoro-6-[methyl(thiophen-2-yl)amino]benzonitrile (CID 67268549) is 2-fluoro-6-[methyl(thiophen-2-yl)amino]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[methyl(thiophen-2-yl)amino]benzonitrile?
The canonical SMILES for 2-fluoro-6-[methyl(thiophen-2-yl)amino]benzonitrile is CN(c1cccs1)c1cccc(F)c1C#N.
What is the InChIKey of 2-fluoro-6-[methyl(thiophen-2-yl)amino]benzonitrile?
The InChIKey is IVICBOIXNFIDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2S/c1-15(12-6-3-7-16-12)11-5-2-4-10(13)9(11)8-14/h2-7H,1H3.
What are the key properties of 2-fluoro-6-[methyl(thiophen-2-yl)amino]benzonitrile?
2-fluoro-6-[methyl(thiophen-2-yl)amino]benzonitrile has a molecular weight of 232.28 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[methyl(thiophen-2-yl)amino]benzonitrile is sourced from PubChem (CID 67268549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).