2-chloro-5-(4-chlorophenyl)-4-fluoroaniline

C12H8Cl2FN — CID 171921721

IUPAC2-chloro-5-(4-chlorophenyl)-4-fluoroaniline
SMILESNc1cc(-c2ccc(Cl)cc2)c(F)cc1Cl
InChIInChI=1S/C12H8Cl2FN/c13-8-3-1-7(2-4-8)9-5-12(16)10(14)6-11(9)15/h1-6H,16H2
InChIKeyUNAZDTNSWLQTTA-UHFFFAOYSA-N
MW256.11 g/mol
LogP4.38
Rot. Bonds1

About 2-chloro-5-(4-chlorophenyl)-4-fluoroaniline

2-chloro-5-(4-chlorophenyl)-4-fluoroaniline (PubChem CID 171921721) has the molecular formula C12H8Cl2FN and a molecular weight of 256.11 g/mol. Its IUPAC name is 2-chloro-5-(4-chlorophenyl)-4-fluoroaniline.

Molecular Properties

Compound Name2-chloro-5-(4-chlorophenyl)-4-fluoroaniline
PubChem CID171921721
Molecular FormulaC12H8Cl2FN
Molecular Weight256.11 g/mol
Exact Mass255.00
IUPAC Name2-chloro-5-(4-chlorophenyl)-4-fluoroaniline
SMILESNc1cc(-c2ccc(Cl)cc2)c(F)cc1Cl
InChIInChI=1S/C12H8Cl2FN/c13-8-3-1-7(2-4-8)9-5-12(16)10(14)6-11(9)15/h1-6H,16H2
InChIKeyUNAZDTNSWLQTTA-UHFFFAOYSA-N
XLogP4.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.11
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-5-(4-chlorophenyl)-4-fluoroaniline 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-chloro-5-(4-chlorophenyl)-4-fluoroaniline?
The IUPAC name of 2-chloro-5-(4-chlorophenyl)-4-fluoroaniline (CID 171921721) is 2-chloro-5-(4-chlorophenyl)-4-fluoroaniline.
What is the SMILES notation for 2-chloro-5-(4-chlorophenyl)-4-fluoroaniline?
The canonical SMILES for 2-chloro-5-(4-chlorophenyl)-4-fluoroaniline is Nc1cc(-c2ccc(Cl)cc2)c(F)cc1Cl.
What is the InChIKey of 2-chloro-5-(4-chlorophenyl)-4-fluoroaniline?
The InChIKey is UNAZDTNSWLQTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2FN/c13-8-3-1-7(2-4-8)9-5-12(16)10(14)6-11(9)15/h1-6H,16H2.
What are the key properties of 2-chloro-5-(4-chlorophenyl)-4-fluoroaniline?
2-chloro-5-(4-chlorophenyl)-4-fluoroaniline has a molecular weight of 256.11 g/mol, XLogP of 4.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-chlorophenyl)-4-fluoroaniline is sourced from PubChem (CID 171921721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).