butylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)alumanuide

C28H12AlF20N — CID 87556247

IUPACbutylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)alumanuide
SMILESCCCC[NH3+].Fc1c(F)c(F)c([Al-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/4C6F5.C4H11N.Al/c4*7-2-1-3(8)5(10)6(11)4(2)9;1-2-3-4-5;/h;;;;2-5H2,1H3;/q;;;;;-1/p+1
InChIKeyMLKVQPGEIBVRDW-UHFFFAOYSA-O
MW769.35 g/mol
LogP5.87
Rot. Bonds6

About butylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)alumanuide

butylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)alumanuide (PubChem CID 87556247) has the molecular formula C28H12AlF20N and a molecular weight of 769.35 g/mol. Its IUPAC name is butylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)alumanuide.

Molecular Properties

Compound Namebutylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)alumanuide
PubChem CID87556247
Molecular FormulaC28H12AlF20N
Molecular Weight769.35 g/mol
Exact Mass769.05
IUPAC Namebutylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)alumanuide
SMILESCCCC[NH3+].Fc1c(F)c(F)c([Al-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/4C6F5.C4H11N.Al/c4*7-2-1-3(8)5(10)6(11)4(2)9;1-2-3-4-5;/h;;;;2-5H2,1H3;/q;;;;;-1/p+1
InChIKeyMLKVQPGEIBVRDW-UHFFFAOYSA-O
XLogP5.87
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.35
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze butylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)alumanuide 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

butylazanium;hydride
CID 141334193
dimethylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)alumanuide
CID 19705667
triazanium;butylazanium;tetrabromide
CID 139693201
copper;butylazanium;tetraazide
CID 88640537
butylazanium;oxolane;fluoride
CID 67136632
tetratriacontylazanium bromide
CID 141191350
undecylazanium bromide
CID 87480687
tris(octadecylazanium);tribromide
CID 141071881
dodecylazanium;hydrochloride
CID 22568612
dodecylazanium tetrafluoroborate
CID 141181929
butyl-methyl-(2,3,4,5,6-pentafluorophenyl)phosphane
CID 22637866
butylazanium;oxalate
CID 19844195

Frequently Asked Questions

What is the IUPAC name of butylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)alumanuide?
The IUPAC name of butylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)alumanuide (CID 87556247) is butylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)alumanuide.
What is the SMILES notation for butylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)alumanuide?
The canonical SMILES for butylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)alumanuide is CCCC[NH3+].Fc1c(F)c(F)c([Al-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of butylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)alumanuide?
The InChIKey is MLKVQPGEIBVRDW-UHFFFAOYSA-O. The full InChI is InChI=1S/4C6F5.C4H11N.Al/c4*7-2-1-3(8)5(10)6(11)4(2)9;1-2-3-4-5;/h;;;;2-5H2,1H3;/q;;;;;-1/p+1.
What are the key properties of butylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)alumanuide?
butylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)alumanuide has a molecular weight of 769.35 g/mol, XLogP of 5.87, 6 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)alumanuide is sourced from PubChem (CID 87556247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).