(1,1,1,5,5,5-hexafluoro-4-methylidyneazaniumylpent-2-en-2-yl)-methyl-methylideneazanium

C8H8F6N2+2 — CID 123299276

IUPAC(1,1,1,5,5,5-hexafluoro-4-methylidyneazaniumylpent-2-en-2-yl)-methyl-methylideneazanium
SMILESC#[N+]C(C=C([N+](=C)C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H8F6N2/c1-15-5(7(9,10)11)4-6(16(2)3)8(12,13)14/h1,4-5H,2H2,3H3/q+2
InChIKeyWCCYJADUNGHNNT-UHFFFAOYSA-N
MW246.15 g/mol
LogP2.67
Rot. Bonds2

About (1,1,1,5,5,5-hexafluoro-4-methylidyneazaniumylpent-2-en-2-yl)-methyl-methylideneazanium

(1,1,1,5,5,5-hexafluoro-4-methylidyneazaniumylpent-2-en-2-yl)-methyl-methylideneazanium (PubChem CID 123299276) has the molecular formula C8H8F6N2+2 and a molecular weight of 246.15 g/mol. Its IUPAC name is (1,1,1,5,5,5-hexafluoro-4-methylidyneazaniumylpent-2-en-2-yl)-methyl-methylideneazanium.

Molecular Properties

Compound Name(1,1,1,5,5,5-hexafluoro-4-methylidyneazaniumylpent-2-en-2-yl)-methyl-methylideneazanium
PubChem CID123299276
Molecular FormulaC8H8F6N2+2
Molecular Weight246.15 g/mol
Exact Mass246.06
IUPAC Name(1,1,1,5,5,5-hexafluoro-4-methylidyneazaniumylpent-2-en-2-yl)-methyl-methylideneazanium
SMILESC#[N+]C(C=C([N+](=C)C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H8F6N2/c1-15-5(7(9,10)11)4-6(16(2)3)8(12,13)14/h1,4-5H,2H2,3H3/q+2
InChIKeyWCCYJADUNGHNNT-UHFFFAOYSA-N
XLogP2.67
TPSA7.37 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (1,1,1,5,5,5-hexafluoro-4-methylidyneazaniumylpent-2-en-2-yl)-methyl-methylideneazanium 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

Methyl-methylidene-(4-methylidyneazaniumylpent-3-en-2-yl)azanium
CID 123315107

Frequently Asked Questions

What is the IUPAC name of (1,1,1,5,5,5-hexafluoro-4-methylidyneazaniumylpent-2-en-2-yl)-methyl-methylideneazanium?
The IUPAC name of (1,1,1,5,5,5-hexafluoro-4-methylidyneazaniumylpent-2-en-2-yl)-methyl-methylideneazanium (CID 123299276) is (1,1,1,5,5,5-hexafluoro-4-methylidyneazaniumylpent-2-en-2-yl)-methyl-methylideneazanium.
What is the SMILES notation for (1,1,1,5,5,5-hexafluoro-4-methylidyneazaniumylpent-2-en-2-yl)-methyl-methylideneazanium?
The canonical SMILES for (1,1,1,5,5,5-hexafluoro-4-methylidyneazaniumylpent-2-en-2-yl)-methyl-methylideneazanium is C#[N+]C(C=C([N+](=C)C)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (1,1,1,5,5,5-hexafluoro-4-methylidyneazaniumylpent-2-en-2-yl)-methyl-methylideneazanium?
The InChIKey is WCCYJADUNGHNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F6N2/c1-15-5(7(9,10)11)4-6(16(2)3)8(12,13)14/h1,4-5H,2H2,3H3/q+2.
What are the key properties of (1,1,1,5,5,5-hexafluoro-4-methylidyneazaniumylpent-2-en-2-yl)-methyl-methylideneazanium?
(1,1,1,5,5,5-hexafluoro-4-methylidyneazaniumylpent-2-en-2-yl)-methyl-methylideneazanium has a molecular weight of 246.15 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,1,5,5,5-hexafluoro-4-methylidyneazaniumylpent-2-en-2-yl)-methyl-methylideneazanium is sourced from PubChem (CID 123299276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).