2-(3,4-dichlorophenyl)-4-fluoroaniline

C12H8Cl2FN — CID 11572419

IUPAC2-(3,4-dichlorophenyl)-4-fluoroaniline
SMILESNc1ccc(F)cc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H8Cl2FN/c13-10-3-1-7(5-11(10)14)9-6-8(15)2-4-12(9)16/h1-6H,16H2
InChIKeyQUVGVAKQHNJQNN-UHFFFAOYSA-N
MW256.11 g/mol
LogP4.38
Rot. Bonds1

About 2-(3,4-dichlorophenyl)-4-fluoroaniline

2-(3,4-dichlorophenyl)-4-fluoroaniline (PubChem CID 11572419) has the molecular formula C12H8Cl2FN and a molecular weight of 256.11 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-4-fluoroaniline.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-4-fluoroaniline
PubChem CID11572419
Molecular FormulaC12H8Cl2FN
Molecular Weight256.11 g/mol
Exact Mass255.00
IUPAC Name2-(3,4-dichlorophenyl)-4-fluoroaniline
SMILESNc1ccc(F)cc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H8Cl2FN/c13-10-3-1-7(5-11(10)14)9-6-8(15)2-4-12(9)16/h1-6H,16H2
InChIKeyQUVGVAKQHNJQNN-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-4-fluoroaniline?
The IUPAC name of 2-(3,4-dichlorophenyl)-4-fluoroaniline (CID 11572419) is 2-(3,4-dichlorophenyl)-4-fluoroaniline.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-4-fluoroaniline?
The canonical SMILES for 2-(3,4-dichlorophenyl)-4-fluoroaniline is Nc1ccc(F)cc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-4-fluoroaniline?
The InChIKey is QUVGVAKQHNJQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2FN/c13-10-3-1-7(5-11(10)14)9-6-8(15)2-4-12(9)16/h1-6H,16H2.
What are the key properties of 2-(3,4-dichlorophenyl)-4-fluoroaniline?
2-(3,4-dichlorophenyl)-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-(3,4-dichlorophenyl)-4-fluoroaniline is sourced from PubChem (CID 11572419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).