2-chloro-4-(3-chloro-5-fluorophenyl)aniline

C12H8Cl2FN — CID 107607732

IUPAC2-chloro-4-(3-chloro-5-fluorophenyl)aniline
SMILESNc1ccc(-c2cc(F)cc(Cl)c2)cc1Cl
InChIInChI=1S/C12H8Cl2FN/c13-9-3-8(4-10(15)6-9)7-1-2-12(16)11(14)5-7/h1-6H,16H2
InChIKeyAXOVRJSSBKRUGC-UHFFFAOYSA-N
MW256.11 g/mol
LogP4.38
Rot. Bonds1

About 2-chloro-4-(3-chloro-5-fluorophenyl)aniline

2-chloro-4-(3-chloro-5-fluorophenyl)aniline (PubChem CID 107607732) has the molecular formula C12H8Cl2FN and a molecular weight of 256.11 g/mol. Its IUPAC name is 2-chloro-4-(3-chloro-5-fluorophenyl)aniline.

Molecular Properties

Compound Name2-chloro-4-(3-chloro-5-fluorophenyl)aniline
PubChem CID107607732
Molecular FormulaC12H8Cl2FN
Molecular Weight256.11 g/mol
Exact Mass255.00
IUPAC Name2-chloro-4-(3-chloro-5-fluorophenyl)aniline
SMILESNc1ccc(-c2cc(F)cc(Cl)c2)cc1Cl
InChIInChI=1S/C12H8Cl2FN/c13-9-3-8(4-10(15)6-9)7-1-2-12(16)11(14)5-7/h1-6H,16H2
InChIKeyAXOVRJSSBKRUGC-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-4-(3-chloro-5-fluorophenyl)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-chloro-4-(3-chloro-5-fluorophenyl)aniline?
The IUPAC name of 2-chloro-4-(3-chloro-5-fluorophenyl)aniline (CID 107607732) is 2-chloro-4-(3-chloro-5-fluorophenyl)aniline.
What is the SMILES notation for 2-chloro-4-(3-chloro-5-fluorophenyl)aniline?
The canonical SMILES for 2-chloro-4-(3-chloro-5-fluorophenyl)aniline is Nc1ccc(-c2cc(F)cc(Cl)c2)cc1Cl.
What is the InChIKey of 2-chloro-4-(3-chloro-5-fluorophenyl)aniline?
The InChIKey is AXOVRJSSBKRUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2FN/c13-9-3-8(4-10(15)6-9)7-1-2-12(16)11(14)5-7/h1-6H,16H2.
What are the key properties of 2-chloro-4-(3-chloro-5-fluorophenyl)aniline?
2-chloro-4-(3-chloro-5-fluorophenyl)aniline 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-4-(3-chloro-5-fluorophenyl)aniline is sourced from PubChem (CID 107607732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).