2,6-difluoro-N-(thiophen-2-ylmethyl)aniline

C11H9F2NS — CID 39246443

IUPAC2,6-difluoro-N-(thiophen-2-ylmethyl)aniline
SMILESFc1cccc(F)c1NCc1cccs1
InChIInChI=1S/C11H9F2NS/c12-9-4-1-5-10(13)11(9)14-7-8-3-2-6-15-8/h1-6,14H,7H2
InChIKeyNRIBQIMEJHBQDQ-UHFFFAOYSA-N
MW225.26 g/mol
LogP3.64
Rot. Bonds3

About 2,6-difluoro-N-(thiophen-2-ylmethyl)aniline

2,6-difluoro-N-(thiophen-2-ylmethyl)aniline (PubChem CID 39246443) has the molecular formula C11H9F2NS and a molecular weight of 225.26 g/mol. Its IUPAC name is 2,6-difluoro-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound Name2,6-difluoro-N-(thiophen-2-ylmethyl)aniline
PubChem CID39246443
Molecular FormulaC11H9F2NS
Molecular Weight225.26 g/mol
Exact Mass225.04
IUPAC Name2,6-difluoro-N-(thiophen-2-ylmethyl)aniline
SMILESFc1cccc(F)c1NCc1cccs1
InChIInChI=1S/C11H9F2NS/c12-9-4-1-5-10(13)11(9)14-7-8-3-2-6-15-8/h1-6,14H,7H2
InChIKeyNRIBQIMEJHBQDQ-UHFFFAOYSA-N
XLogP3.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,6-difluoro-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

Related Compounds

3-fluoro-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 115125723
3-fluoro-1-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 60788587
2-bromo-6-fluoro-N-(2-thiophen-2-ylethyl)aniline
CID 107599377
N-[(4-chlorothiophen-2-yl)methyl]-2,6-difluoroaniline
CID 79420302
4-bromo-3-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 65435486
N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-2-ylmethanamine
CID 4716146
5-bromo-2,4-difluoro-N-(thiophen-2-ylmethyl)aniline
CID 102852659
2-bromo-6-methylsulfonyl-N-(thiophen-2-ylmethyl)aniline
CID 122156143
2-bromo-5-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 107633039
4-(ethylamino)-3,5-difluoro-N-(thiophen-2-ylmethyl)benzamide
CID 63187631
N-(2,6-difluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8718062
1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 28668397

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of 2,6-difluoro-N-(thiophen-2-ylmethyl)aniline (CID 39246443) is 2,6-difluoro-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for 2,6-difluoro-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for 2,6-difluoro-N-(thiophen-2-ylmethyl)aniline is Fc1cccc(F)c1NCc1cccs1.
What is the InChIKey of 2,6-difluoro-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is NRIBQIMEJHBQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NS/c12-9-4-1-5-10(13)11(9)14-7-8-3-2-6-15-8/h1-6,14H,7H2.
What are the key properties of 2,6-difluoro-N-(thiophen-2-ylmethyl)aniline?
2,6-difluoro-N-(thiophen-2-ylmethyl)aniline has a molecular weight of 225.26 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 39246443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).