2-fluoro-N-(thiophen-2-ylmethyl)aniline

C11H10FNS — CID 6421754

IUPAC2-fluoro-N-(thiophen-2-ylmethyl)aniline
SMILESFc1ccccc1NCc1cccs1
InChIInChI=1S/C11H10FNS/c12-10-5-1-2-6-11(10)13-8-9-4-3-7-14-9/h1-7,13H,8H2
InChIKeyNJZNMFGQSSIVEU-UHFFFAOYSA-N
MW207.27 g/mol
LogP3.50
Rot. Bonds3

About 2-fluoro-N-(thiophen-2-ylmethyl)aniline

2-fluoro-N-(thiophen-2-ylmethyl)aniline (PubChem CID 6421754) has the molecular formula C11H10FNS and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-fluoro-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-fluoro-N-(thiophen-2-ylmethyl)aniline
PubChem CID6421754
Molecular FormulaC11H10FNS
Molecular Weight207.27 g/mol
Exact Mass207.05
IUPAC Name2-fluoro-N-(thiophen-2-ylmethyl)aniline
SMILESFc1ccccc1NCc1cccs1
InChIInChI=1S/C11H10FNS/c12-10-5-1-2-6-11(10)13-8-9-4-3-7-14-9/h1-7,13H,8H2
InChIKeyNJZNMFGQSSIVEU-UHFFFAOYSA-N
XLogP3.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-N-(thiophen-2-ylmethyl)aniline 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-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of 2-fluoro-N-(thiophen-2-ylmethyl)aniline (CID 6421754) is 2-fluoro-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for 2-fluoro-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for 2-fluoro-N-(thiophen-2-ylmethyl)aniline is Fc1ccccc1NCc1cccs1.
What is the InChIKey of 2-fluoro-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is NJZNMFGQSSIVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNS/c12-10-5-1-2-6-11(10)13-8-9-4-3-7-14-9/h1-7,13H,8H2.
What are the key properties of 2-fluoro-N-(thiophen-2-ylmethyl)aniline?
2-fluoro-N-(thiophen-2-ylmethyl)aniline has a molecular weight of 207.27 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 6421754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).