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

C12H7Cl2F2NO — CID 66077320

IUPAC5-chloro-2-(2-chloro-4-fluorophenoxy)-4-fluoroaniline
SMILESNc1cc(Cl)c(F)cc1Oc1ccc(F)cc1Cl
InChIInChI=1S/C12H7Cl2F2NO/c13-7-4-10(17)12(5-9(7)16)18-11-2-1-6(15)3-8(11)14/h1-5H,17H2
InChIKeyZTWAGSBNPFPDQB-UHFFFAOYSA-N
MW290.10 g/mol
LogP4.65
Rot. Bonds2

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

5-chloro-2-(2-chloro-4-fluorophenoxy)-4-fluoroaniline (PubChem CID 66077320) has the molecular formula C12H7Cl2F2NO and a molecular weight of 290.10 g/mol. Its IUPAC name is 5-chloro-2-(2-chloro-4-fluorophenoxy)-4-fluoroaniline.

Molecular Properties

Compound Name5-chloro-2-(2-chloro-4-fluorophenoxy)-4-fluoroaniline
PubChem CID66077320
Molecular FormulaC12H7Cl2F2NO
Molecular Weight290.10 g/mol
Exact Mass288.99
IUPAC Name5-chloro-2-(2-chloro-4-fluorophenoxy)-4-fluoroaniline
SMILESNc1cc(Cl)c(F)cc1Oc1ccc(F)cc1Cl
InChIInChI=1S/C12H7Cl2F2NO/c13-7-4-10(17)12(5-9(7)16)18-11-2-1-6(15)3-8(11)14/h1-5H,17H2
InChIKeyZTWAGSBNPFPDQB-UHFFFAOYSA-N
XLogP4.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.10
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-chloro-2-(2-chloro-4-fluorophenoxy)-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

5-chloro-2-(2,3-difluorophenoxy)-4-fluoroaniline
CID 66077323
5-chloro-4-fluoro-2-(2-iodophenoxy)aniline
CID 66078879
5-chloro-4-fluoro-2-naphthalen-1-yloxyaniline
CID 66076535
5-chloro-4-fluoro-2-phenoxyaniline
CID 66078478
4-(2-chloro-4-fluorophenoxy)-3,5-difluoroaniline
CID 54902948
4-amino-3-(2-chloro-4-fluorophenoxy)benzonitrile
CID 104712633
3-chloro-4-(2,5-difluorophenoxy)aniline
CID 63268649
2-(4-bromo-2-chloro-5-fluorophenoxy)-4-fluoroaniline
CID 114270895
4,5-dichloro-2-(5-fluoro-2-methylphenoxy)aniline
CID 102980220
5-bromo-2-(2,4-difluorophenoxy)-4-fluoroaniline
CID 66110764
4-chloro-5-fluoro-2-(3-fluorophenoxy)aniline
CID 114089137
5-chloro-2-(2,5-dibromo-4-methoxyphenoxy)-4-fluoroaniline
CID 79416403

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-chloro-4-fluorophenoxy)-4-fluoroaniline?
The IUPAC name of 5-chloro-2-(2-chloro-4-fluorophenoxy)-4-fluoroaniline (CID 66077320) is 5-chloro-2-(2-chloro-4-fluorophenoxy)-4-fluoroaniline.
What is the SMILES notation for 5-chloro-2-(2-chloro-4-fluorophenoxy)-4-fluoroaniline?
The canonical SMILES for 5-chloro-2-(2-chloro-4-fluorophenoxy)-4-fluoroaniline is Nc1cc(Cl)c(F)cc1Oc1ccc(F)cc1Cl.
What is the InChIKey of 5-chloro-2-(2-chloro-4-fluorophenoxy)-4-fluoroaniline?
The InChIKey is ZTWAGSBNPFPDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2F2NO/c13-7-4-10(17)12(5-9(7)16)18-11-2-1-6(15)3-8(11)14/h1-5H,17H2.
What are the key properties of 5-chloro-2-(2-chloro-4-fluorophenoxy)-4-fluoroaniline?
5-chloro-2-(2-chloro-4-fluorophenoxy)-4-fluoroaniline has a molecular weight of 290.10 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-chloro-4-fluorophenoxy)-4-fluoroaniline is sourced from PubChem (CID 66077320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).