potassium 4-(benzhydrylidenehydrazinylidene)-1,1,1,5,5-pentafluoropent-2-en-2-olate

C18H12F5KN2O — CID 121301772

IUPACpotassium 4-(benzhydrylidenehydrazinylidene)-1,1,1,5,5-pentafluoropent-2-en-2-olate
SMILES[K+].[O-]C(=CC(=NN=C(c1ccccc1)c1ccccc1)C(F)F)C(F)(F)F
InChIInChI=1S/C18H13F5N2O.K/c19-17(20)14(11-15(26)18(21,22)23)24-25-16(12-7-3-1-4-8-12)13-9-5-2-6-10-13;/h1-11,17,26H;/q;+1/p-1
InChIKeyWYVMADQKXJTNGX-UHFFFAOYSA-M
MW406.40 g/mol
LogP0.96
Rot. Bonds5

About potassium 4-(benzhydrylidenehydrazinylidene)-1,1,1,5,5-pentafluoropent-2-en-2-olate

potassium 4-(benzhydrylidenehydrazinylidene)-1,1,1,5,5-pentafluoropent-2-en-2-olate (PubChem CID 121301772) has the molecular formula C18H12F5KN2O and a molecular weight of 406.40 g/mol. Its IUPAC name is potassium 4-(benzhydrylidenehydrazinylidene)-1,1,1,5,5-pentafluoropent-2-en-2-olate.

Molecular Properties

Compound Namepotassium 4-(benzhydrylidenehydrazinylidene)-1,1,1,5,5-pentafluoropent-2-en-2-olate
PubChem CID121301772
Molecular FormulaC18H12F5KN2O
Molecular Weight406.40 g/mol
Exact Mass406.05
IUPAC Namepotassium 4-(benzhydrylidenehydrazinylidene)-1,1,1,5,5-pentafluoropent-2-en-2-olate
SMILES[K+].[O-]C(=CC(=NN=C(c1ccccc1)c1ccccc1)C(F)F)C(F)(F)F
InChIInChI=1S/C18H13F5N2O.K/c19-17(20)14(11-15(26)18(21,22)23)24-25-16(12-7-3-1-4-8-12)13-9-5-2-6-10-13;/h1-11,17,26H;/q;+1/p-1
InChIKeyWYVMADQKXJTNGX-UHFFFAOYSA-M
XLogP0.96
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium 4-(benzhydrylidenehydrazinylidene)-1,1,1,5,5-pentafluoropent-2-en-2-olate?
The IUPAC name of potassium 4-(benzhydrylidenehydrazinylidene)-1,1,1,5,5-pentafluoropent-2-en-2-olate (CID 121301772) is potassium 4-(benzhydrylidenehydrazinylidene)-1,1,1,5,5-pentafluoropent-2-en-2-olate.
What is the SMILES notation for potassium 4-(benzhydrylidenehydrazinylidene)-1,1,1,5,5-pentafluoropent-2-en-2-olate?
The canonical SMILES for potassium 4-(benzhydrylidenehydrazinylidene)-1,1,1,5,5-pentafluoropent-2-en-2-olate is [K+].[O-]C(=CC(=NN=C(c1ccccc1)c1ccccc1)C(F)F)C(F)(F)F.
What is the InChIKey of potassium 4-(benzhydrylidenehydrazinylidene)-1,1,1,5,5-pentafluoropent-2-en-2-olate?
The InChIKey is WYVMADQKXJTNGX-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H13F5N2O.K/c19-17(20)14(11-15(26)18(21,22)23)24-25-16(12-7-3-1-4-8-12)13-9-5-2-6-10-13;/h1-11,17,26H;/q;+1/p-1.
What are the key properties of potassium 4-(benzhydrylidenehydrazinylidene)-1,1,1,5,5-pentafluoropent-2-en-2-olate?
potassium 4-(benzhydrylidenehydrazinylidene)-1,1,1,5,5-pentafluoropent-2-en-2-olate has a molecular weight of 406.40 g/mol, XLogP of 0.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-(benzhydrylidenehydrazinylidene)-1,1,1,5,5-pentafluoropent-2-en-2-olate is sourced from PubChem (CID 121301772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).