bis(tert-butyl(methyl)azanide);neodymium(3+);fluoride

C10H24FN2Nd — CID 87163662

IUPACbis(tert-butyl(methyl)azanide);neodymium(3+);fluoride
SMILESC[N-]C(C)(C)C.C[N-]C(C)(C)C.[F-].[Nd+3]
InChIInChI=1S/2C5H12N.FH.Nd/c2*1-5(2,3)6-4;;/h2*1-4H3;1H;/q2*-1;;+3/p-1
InChIKeyCAGFHURBOZSUPD-UHFFFAOYSA-M
MW335.55 g/mol
LogP0.58
Rot. Bonds

About bis(tert-butyl(methyl)azanide);neodymium(3+);fluoride

bis(tert-butyl(methyl)azanide);neodymium(3+);fluoride (PubChem CID 87163662) has the molecular formula C10H24FN2Nd and a molecular weight of 335.55 g/mol. Its IUPAC name is bis(tert-butyl(methyl)azanide);neodymium(3+);fluoride.

Molecular Properties

Compound Namebis(tert-butyl(methyl)azanide);neodymium(3+);fluoride
PubChem CID87163662
Molecular FormulaC10H24FN2Nd
Molecular Weight335.55 g/mol
Exact Mass333.10
IUPAC Namebis(tert-butyl(methyl)azanide);neodymium(3+);fluoride
SMILESC[N-]C(C)(C)C.C[N-]C(C)(C)C.[F-].[Nd+3]
InChIInChI=1S/2C5H12N.FH.Nd/c2*1-5(2,3)6-4;;/h2*1-4H3;1H;/q2*-1;;+3/p-1
InChIKeyCAGFHURBOZSUPD-UHFFFAOYSA-M
XLogP0.58
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.55
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of bis(tert-butyl(methyl)azanide);neodymium(3+);fluoride?
The IUPAC name of bis(tert-butyl(methyl)azanide);neodymium(3+);fluoride (CID 87163662) is bis(tert-butyl(methyl)azanide);neodymium(3+);fluoride.
What is the SMILES notation for bis(tert-butyl(methyl)azanide);neodymium(3+);fluoride?
The canonical SMILES for bis(tert-butyl(methyl)azanide);neodymium(3+);fluoride is C[N-]C(C)(C)C.C[N-]C(C)(C)C.[F-].[Nd+3].
What is the InChIKey of bis(tert-butyl(methyl)azanide);neodymium(3+);fluoride?
The InChIKey is CAGFHURBOZSUPD-UHFFFAOYSA-M. The full InChI is InChI=1S/2C5H12N.FH.Nd/c2*1-5(2,3)6-4;;/h2*1-4H3;1H;/q2*-1;;+3/p-1.
What are the key properties of bis(tert-butyl(methyl)azanide);neodymium(3+);fluoride?
bis(tert-butyl(methyl)azanide);neodymium(3+);fluoride has a molecular weight of 335.55 g/mol, XLogP of 0.58, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tert-butyl(methyl)azanide);neodymium(3+);fluoride is sourced from PubChem (CID 87163662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).