2-(4-chlorophenyl)-4-fluoroaniline

C12H9ClFN — CID 15345616

IUPAC2-(4-chlorophenyl)-4-fluoroaniline
SMILESNc1ccc(F)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C12H9ClFN/c13-9-3-1-8(2-4-9)11-7-10(14)5-6-12(11)15/h1-7H,15H2
InChIKeyIIOKEAUIKKVDHM-UHFFFAOYSA-N
MW221.66 g/mol
LogP3.73
Rot. Bonds1

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

2-(4-chlorophenyl)-4-fluoroaniline (PubChem CID 15345616) has the molecular formula C12H9ClFN and a molecular weight of 221.66 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-fluoroaniline.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-fluoroaniline
PubChem CID15345616
Molecular FormulaC12H9ClFN
Molecular Weight221.66 g/mol
Exact Mass221.04
IUPAC Name2-(4-chlorophenyl)-4-fluoroaniline
SMILESNc1ccc(F)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C12H9ClFN/c13-9-3-1-8(2-4-9)11-7-10(14)5-6-12(11)15/h1-7H,15H2
InChIKeyIIOKEAUIKKVDHM-UHFFFAOYSA-N
XLogP3.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.66
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(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

Related Compounds

3,3'-Dichlorobenzidine
CID 7070
2-Aminobiphenyl
CID 7015
5-Chloro-2-methylaniline
CID 7260
3,4,5-Trifluoro-2'-aminobiphenyl
CID 44249263
2-Biphenylamine hydrochloride
CID 5284347
4-Amino-4'-chlorodiphenyl
CID 8675
2-Amino-4'-chlorobiphenyl
CID 262261
2,2'-Dichlorobenzidine
CID 66538
3',4'-Dichloro-5-fluorobiphenyl-2-amine
CID 11572419
5-Chloro-2-methylaniline hydrochloride
CID 80416
2'-Chloro-[1,1'-biphenyl]-4-amine
CID 4127351
3'-Chloro-(1,1'-biphenyl)-4-amine
CID 2757427

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-fluoroaniline?
The IUPAC name of 2-(4-chlorophenyl)-4-fluoroaniline (CID 15345616) is 2-(4-chlorophenyl)-4-fluoroaniline.
What is the SMILES notation for 2-(4-chlorophenyl)-4-fluoroaniline?
The canonical SMILES for 2-(4-chlorophenyl)-4-fluoroaniline is Nc1ccc(F)cc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-fluoroaniline?
The InChIKey is IIOKEAUIKKVDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN/c13-9-3-1-8(2-4-9)11-7-10(14)5-6-12(11)15/h1-7H,15H2.
What are the key properties of 2-(4-chlorophenyl)-4-fluoroaniline?
2-(4-chlorophenyl)-4-fluoroaniline has a molecular weight of 221.66 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-fluoroaniline is sourced from PubChem (CID 15345616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).