4-[4-(2,6-difluorophenyl)-2,6-difluorophenyl]-2,6-difluoroaniline

C18H9F6N — CID 6426451

IUPAC4-[4-(2,6-difluorophenyl)-2,6-difluorophenyl]-2,6-difluoroaniline
SMILESNc1c(F)cc(-c2c(F)cc(-c3c(F)cccc3F)cc2F)cc1F
InChIInChI=1S/C18H9F6N/c19-10-2-1-3-11(20)16(10)8-4-12(21)17(13(22)5-8)9-6-14(23)18(25)15(24)7-9/h1-7H,25H2
InChIKeyJHWPJGXGNPVACM-UHFFFAOYSA-N
MW353.27 g/mol
LogP5.44
Rot. Bonds2

About 4-[4-(2,6-difluorophenyl)-2,6-difluorophenyl]-2,6-difluoroaniline

4-[4-(2,6-difluorophenyl)-2,6-difluorophenyl]-2,6-difluoroaniline (PubChem CID 6426451) has the molecular formula C18H9F6N and a molecular weight of 353.27 g/mol. Its IUPAC name is 4-[4-(2,6-difluorophenyl)-2,6-difluorophenyl]-2,6-difluoroaniline.

Molecular Properties

Compound Name4-[4-(2,6-difluorophenyl)-2,6-difluorophenyl]-2,6-difluoroaniline
PubChem CID6426451
Molecular FormulaC18H9F6N
Molecular Weight353.27 g/mol
Exact Mass353.06
IUPAC Name4-[4-(2,6-difluorophenyl)-2,6-difluorophenyl]-2,6-difluoroaniline
SMILESNc1c(F)cc(-c2c(F)cc(-c3c(F)cccc3F)cc2F)cc1F
InChIInChI=1S/C18H9F6N/c19-10-2-1-3-11(20)16(10)8-4-12(21)17(13(22)5-8)9-6-14(23)18(25)15(24)7-9/h1-7H,25H2
InChIKeyJHWPJGXGNPVACM-UHFFFAOYSA-N
XLogP5.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.27
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[4-(2,6-difluorophenyl)-2,6-difluorophenyl]-2,6-difluoroaniline 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 4-[4-(2,6-difluorophenyl)-2,6-difluorophenyl]-2,6-difluoroaniline?
The IUPAC name of 4-[4-(2,6-difluorophenyl)-2,6-difluorophenyl]-2,6-difluoroaniline (CID 6426451) is 4-[4-(2,6-difluorophenyl)-2,6-difluorophenyl]-2,6-difluoroaniline.
What is the SMILES notation for 4-[4-(2,6-difluorophenyl)-2,6-difluorophenyl]-2,6-difluoroaniline?
The canonical SMILES for 4-[4-(2,6-difluorophenyl)-2,6-difluorophenyl]-2,6-difluoroaniline is Nc1c(F)cc(-c2c(F)cc(-c3c(F)cccc3F)cc2F)cc1F.
What is the InChIKey of 4-[4-(2,6-difluorophenyl)-2,6-difluorophenyl]-2,6-difluoroaniline?
The InChIKey is JHWPJGXGNPVACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9F6N/c19-10-2-1-3-11(20)16(10)8-4-12(21)17(13(22)5-8)9-6-14(23)18(25)15(24)7-9/h1-7H,25H2.
What are the key properties of 4-[4-(2,6-difluorophenyl)-2,6-difluorophenyl]-2,6-difluoroaniline?
4-[4-(2,6-difluorophenyl)-2,6-difluorophenyl]-2,6-difluoroaniline has a molecular weight of 353.27 g/mol, XLogP of 5.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,6-difluorophenyl)-2,6-difluorophenyl]-2,6-difluoroaniline is sourced from PubChem (CID 6426451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).