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

C26H8AlF20N — CID 19705667

IUPACdimethylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)alumanuide
SMILESC[NH2+]C.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.C2H7N.Al/c4*7-2-1-3(8)5(10)6(11)4(2)9;1-3-2;/h;;;;3H,1-2H3;/q;;;;;-1/p+1
InChIKeyQRMYBVONQUEUDU-UHFFFAOYSA-O
MW741.30 g/mol
LogP4.66
Rot. Bonds4

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

dimethylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)alumanuide (PubChem CID 19705667) has the molecular formula C26H8AlF20N and a molecular weight of 741.30 g/mol. Its IUPAC name is dimethylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)alumanuide.

Molecular Properties

Compound Namedimethylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)alumanuide
PubChem CID19705667
Molecular FormulaC26H8AlF20N
Molecular Weight741.30 g/mol
Exact Mass741.02
IUPAC Namedimethylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)alumanuide
SMILESC[NH2+]C.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.C2H7N.Al/c4*7-2-1-3(8)5(10)6(11)4(2)9;1-3-2;/h;;;;3H,1-2H3;/q;;;;;-1/p+1
InChIKeyQRMYBVONQUEUDU-UHFFFAOYSA-O
XLogP4.66
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500741.30
LogP ≤ 54.66
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'}

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Frequently Asked Questions

What is the IUPAC name of dimethylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)alumanuide?
The IUPAC name of dimethylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)alumanuide (CID 19705667) is dimethylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)alumanuide.
What is the SMILES notation for dimethylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)alumanuide?
The canonical SMILES for dimethylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)alumanuide is C[NH2+]C.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 dimethylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)alumanuide?
The InChIKey is QRMYBVONQUEUDU-UHFFFAOYSA-O. The full InChI is InChI=1S/4C6F5.C2H7N.Al/c4*7-2-1-3(8)5(10)6(11)4(2)9;1-3-2;/h;;;;3H,1-2H3;/q;;;;;-1/p+1.
What are the key properties of dimethylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)alumanuide?
dimethylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)alumanuide has a molecular weight of 741.30 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)alumanuide is sourced from PubChem (CID 19705667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).