2,3,4,5,6-pentafluoro-N-[methyl-(2,3,4,5,6-pentafluoroanilino)alumanyl]aniline

C13H5AlF10N2 — CID 20872998

IUPAC2,3,4,5,6-pentafluoro-N-[methyl-(2,3,4,5,6-pentafluoroanilino)alumanyl]aniline
SMILESC[Al](Nc1c(F)c(F)c(F)c(F)c1F)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/2C6HF5N.CH3.Al/c2*7-1-2(8)4(10)6(12)5(11)3(1)9;;/h2*12H;1H3;/q2*-1;;+2
InChIKeyXZQYHNLTCGIASH-UHFFFAOYSA-N
MW406.16 g/mol
LogP4.72
Rot. Bonds4

About 2,3,4,5,6-pentafluoro-N-[methyl-(2,3,4,5,6-pentafluoroanilino)alumanyl]aniline

2,3,4,5,6-pentafluoro-N-[methyl-(2,3,4,5,6-pentafluoroanilino)alumanyl]aniline (PubChem CID 20872998) has the molecular formula C13H5AlF10N2 and a molecular weight of 406.16 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-[methyl-(2,3,4,5,6-pentafluoroanilino)alumanyl]aniline.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-[methyl-(2,3,4,5,6-pentafluoroanilino)alumanyl]aniline
PubChem CID20872998
Molecular FormulaC13H5AlF10N2
Molecular Weight406.16 g/mol
Exact Mass406.01
IUPAC Name2,3,4,5,6-pentafluoro-N-[methyl-(2,3,4,5,6-pentafluoroanilino)alumanyl]aniline
SMILESC[Al](Nc1c(F)c(F)c(F)c(F)c1F)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/2C6HF5N.CH3.Al/c2*7-1-2(8)4(10)6(12)5(11)3(1)9;;/h2*12H;1H3;/q2*-1;;+2
InChIKeyXZQYHNLTCGIASH-UHFFFAOYSA-N
XLogP4.72
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.16
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2,3,4,5,6-pentafluoro-N-[methyl-(2,3,4,5,6-pentafluoroanilino)alumanyl]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 2,3,4,5,6-pentafluoro-N-[methyl-(2,3,4,5,6-pentafluoroanilino)alumanyl]aniline?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-[methyl-(2,3,4,5,6-pentafluoroanilino)alumanyl]aniline (CID 20872998) is 2,3,4,5,6-pentafluoro-N-[methyl-(2,3,4,5,6-pentafluoroanilino)alumanyl]aniline.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-[methyl-(2,3,4,5,6-pentafluoroanilino)alumanyl]aniline?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-[methyl-(2,3,4,5,6-pentafluoroanilino)alumanyl]aniline is C[Al](Nc1c(F)c(F)c(F)c(F)c1F)Nc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-[methyl-(2,3,4,5,6-pentafluoroanilino)alumanyl]aniline?
The InChIKey is XZQYHNLTCGIASH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6HF5N.CH3.Al/c2*7-1-2(8)4(10)6(12)5(11)3(1)9;;/h2*12H;1H3;/q2*-1;;+2.
What are the key properties of 2,3,4,5,6-pentafluoro-N-[methyl-(2,3,4,5,6-pentafluoroanilino)alumanyl]aniline?
2,3,4,5,6-pentafluoro-N-[methyl-(2,3,4,5,6-pentafluoroanilino)alumanyl]aniline has a molecular weight of 406.16 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N-[methyl-(2,3,4,5,6-pentafluoroanilino)alumanyl]aniline is sourced from PubChem (CID 20872998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).