2-fluoro-6-(thiophen-2-ylmethylamino)benzonitrile

C12H9FN2S — CID 566162

IUPAC2-fluoro-6-(thiophen-2-ylmethylamino)benzonitrile
SMILESN#Cc1c(F)cccc1NCc1cccs1
InChIInChI=1S/C12H9FN2S/c13-11-4-1-5-12(10(11)7-14)15-8-9-3-2-6-16-9/h1-6,15H,8H2
InChIKeyUEILYBQLYHFVSU-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.37
Rot. Bonds3

About 2-fluoro-6-(thiophen-2-ylmethylamino)benzonitrile

2-fluoro-6-(thiophen-2-ylmethylamino)benzonitrile (PubChem CID 566162) has the molecular formula C12H9FN2S and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-fluoro-6-(thiophen-2-ylmethylamino)benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-(thiophen-2-ylmethylamino)benzonitrile
PubChem CID566162
Molecular FormulaC12H9FN2S
Molecular Weight232.28 g/mol
Exact Mass232.05
IUPAC Name2-fluoro-6-(thiophen-2-ylmethylamino)benzonitrile
SMILESN#Cc1c(F)cccc1NCc1cccs1
InChIInChI=1S/C12H9FN2S/c13-11-4-1-5-12(10(11)7-14)15-8-9-3-2-6-16-9/h1-6,15H,8H2
InChIKeyUEILYBQLYHFVSU-UHFFFAOYSA-N
XLogP3.37
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-6-(thiophen-2-ylmethylamino)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-(thiophen-2-ylmethylamino)benzonitrile?
The IUPAC name of 2-fluoro-6-(thiophen-2-ylmethylamino)benzonitrile (CID 566162) is 2-fluoro-6-(thiophen-2-ylmethylamino)benzonitrile.
What is the SMILES notation for 2-fluoro-6-(thiophen-2-ylmethylamino)benzonitrile?
The canonical SMILES for 2-fluoro-6-(thiophen-2-ylmethylamino)benzonitrile is N#Cc1c(F)cccc1NCc1cccs1.
What is the InChIKey of 2-fluoro-6-(thiophen-2-ylmethylamino)benzonitrile?
The InChIKey is UEILYBQLYHFVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2S/c13-11-4-1-5-12(10(11)7-14)15-8-9-3-2-6-16-9/h1-6,15H,8H2.
What are the key properties of 2-fluoro-6-(thiophen-2-ylmethylamino)benzonitrile?
2-fluoro-6-(thiophen-2-ylmethylamino)benzonitrile has a molecular weight of 232.28 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(thiophen-2-ylmethylamino)benzonitrile is sourced from PubChem (CID 566162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).