N-[(4-chlorothiophen-2-yl)methyl]-2,6-difluoroaniline

C11H8ClF2NS — CID 79420302

IUPACN-[(4-chlorothiophen-2-yl)methyl]-2,6-difluoroaniline
SMILESFc1cccc(F)c1NCc1cc(Cl)cs1
InChIInChI=1S/C11H8ClF2NS/c12-7-4-8(16-6-7)5-15-11-9(13)2-1-3-10(11)14/h1-4,6,15H,5H2
InChIKeyRXELKQSEQNJGAP-UHFFFAOYSA-N
MW259.71 g/mol
LogP4.29
Rot. Bonds3

About N-[(4-chlorothiophen-2-yl)methyl]-2,6-difluoroaniline

N-[(4-chlorothiophen-2-yl)methyl]-2,6-difluoroaniline (PubChem CID 79420302) has the molecular formula C11H8ClF2NS and a molecular weight of 259.71 g/mol. Its IUPAC name is N-[(4-chlorothiophen-2-yl)methyl]-2,6-difluoroaniline.

Molecular Properties

Compound NameN-[(4-chlorothiophen-2-yl)methyl]-2,6-difluoroaniline
PubChem CID79420302
Molecular FormulaC11H8ClF2NS
Molecular Weight259.71 g/mol
Exact Mass259.00
IUPAC NameN-[(4-chlorothiophen-2-yl)methyl]-2,6-difluoroaniline
SMILESFc1cccc(F)c1NCc1cc(Cl)cs1
InChIInChI=1S/C11H8ClF2NS/c12-7-4-8(16-6-7)5-15-11-9(13)2-1-3-10(11)14/h1-4,6,15H,5H2
InChIKeyRXELKQSEQNJGAP-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-chlorothiophen-2-yl)methyl]-2,6-difluoroaniline 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

N-[(4-chlorothiophen-2-yl)methyl]-2-fluoro-6-nitroaniline
CID 81310529
2,4,6-trichloro-N-[(4-chlorothiophen-2-yl)methyl]aniline
CID 79420568
N-[(4-chlorothiophen-2-yl)methyl]-4-fluoroaniline
CID 79420119
3-bromo-N-[(4-chlorothiophen-2-yl)methyl]-4-fluoroaniline
CID 104775781
N-[(4-chlorothiophen-2-yl)methyl]-1-(2,6-difluorophenyl)propan-2-amine
CID 79420256
2,6-difluoro-N-(thiophen-2-ylmethyl)aniline
CID 39246443
N-[(4-chlorothiophen-2-yl)methyl]-2-methylaniline
CID 79420207
N-[(4-chlorothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)methanamine
CID 79420434
4-N-[(4-chlorothiophen-2-yl)methyl]benzene-1,4-diamine
CID 22486438
N-[(4-chlorothiophen-2-yl)methyl]-3-ethoxyaniline
CID 79420606
N-[(4-chlorothiophen-2-yl)methyl]-4-(trifluoromethoxy)aniline
CID 79419517
N-[(4-bromothiophen-2-yl)methyl]-5-chloro-2-fluoroaniline
CID 43438232

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-2,6-difluoroaniline?
The IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-2,6-difluoroaniline (CID 79420302) is N-[(4-chlorothiophen-2-yl)methyl]-2,6-difluoroaniline.
What is the SMILES notation for N-[(4-chlorothiophen-2-yl)methyl]-2,6-difluoroaniline?
The canonical SMILES for N-[(4-chlorothiophen-2-yl)methyl]-2,6-difluoroaniline is Fc1cccc(F)c1NCc1cc(Cl)cs1.
What is the InChIKey of N-[(4-chlorothiophen-2-yl)methyl]-2,6-difluoroaniline?
The InChIKey is RXELKQSEQNJGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF2NS/c12-7-4-8(16-6-7)5-15-11-9(13)2-1-3-10(11)14/h1-4,6,15H,5H2.
What are the key properties of N-[(4-chlorothiophen-2-yl)methyl]-2,6-difluoroaniline?
N-[(4-chlorothiophen-2-yl)methyl]-2,6-difluoroaniline has a molecular weight of 259.71 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorothiophen-2-yl)methyl]-2,6-difluoroaniline is sourced from PubChem (CID 79420302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).