2-(3-chloro-4-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanamine

C12H10ClFINS — CID 103042963

IUPAC2-(3-chloro-4-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanamine
SMILESNC(Cc1ccc(F)c(Cl)c1)c1csc(I)c1
InChIInChI=1S/C12H10ClFINS/c13-9-3-7(1-2-10(9)14)4-11(16)8-5-12(15)17-6-8/h1-3,5-6,11H,4,16H2
InChIKeyWMSVEGFFZSMVDY-UHFFFAOYSA-N
MW381.64 g/mol
LogP4.39
Rot. Bonds3

About 2-(3-chloro-4-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanamine

2-(3-chloro-4-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanamine (PubChem CID 103042963) has the molecular formula C12H10ClFINS and a molecular weight of 381.64 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanamine
PubChem CID103042963
Molecular FormulaC12H10ClFINS
Molecular Weight381.64 g/mol
Exact Mass380.93
IUPAC Name2-(3-chloro-4-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanamine
SMILESNC(Cc1ccc(F)c(Cl)c1)c1csc(I)c1
InChIInChI=1S/C12H10ClFINS/c13-9-3-7(1-2-10(9)14)4-11(16)8-5-12(15)17-6-8/h1-3,5-6,11H,4,16H2
InChIKeyWMSVEGFFZSMVDY-UHFFFAOYSA-N
XLogP4.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.64
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-(3-chloro-4-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanamine 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-(3-chloro-4-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanamine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanamine (CID 103042963) is 2-(3-chloro-4-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanamine is NC(Cc1ccc(F)c(Cl)c1)c1csc(I)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanamine?
The InChIKey is WMSVEGFFZSMVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFINS/c13-9-3-7(1-2-10(9)14)4-11(16)8-5-12(15)17-6-8/h1-3,5-6,11H,4,16H2.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanamine?
2-(3-chloro-4-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanamine has a molecular weight of 381.64 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanamine is sourced from PubChem (CID 103042963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).