bis(methyl-(1,1,1-trifluoro-4-methylazanidylpentan-2-yl)azanide);nickel

C14H26F6N4Ni-4 — CID 166057276

IUPACbis(methyl-(1,1,1-trifluoro-4-methylazanidylpentan-2-yl)azanide);nickel
SMILESC[N-]C(C)CC([N-]C)C(F)(F)F.C[N-]C(C)CC([N-]C)C(F)(F)F.[Ni]
InChIInChI=1S/2C7H13F3N2.Ni/c2*1-5(11-2)4-6(12-3)7(8,9)10;/h2*5-6H,4H2,1-3H3;/q2*-2;
InChIKeySJOGCYLJTXAXQO-UHFFFAOYSA-N
MW423.07 g/mol
LogP5.40
Rot. Bonds8

About bis(methyl-(1,1,1-trifluoro-4-methylazanidylpentan-2-yl)azanide);nickel

bis(methyl-(1,1,1-trifluoro-4-methylazanidylpentan-2-yl)azanide);nickel (PubChem CID 166057276) has the molecular formula C14H26F6N4Ni-4 and a molecular weight of 423.07 g/mol. Its IUPAC name is bis(methyl-(1,1,1-trifluoro-4-methylazanidylpentan-2-yl)azanide);nickel.

Molecular Properties

Compound Namebis(methyl-(1,1,1-trifluoro-4-methylazanidylpentan-2-yl)azanide);nickel
PubChem CID166057276
Molecular FormulaC14H26F6N4Ni-4
Molecular Weight423.07 g/mol
Exact Mass422.14
IUPAC Namebis(methyl-(1,1,1-trifluoro-4-methylazanidylpentan-2-yl)azanide);nickel
SMILESC[N-]C(C)CC([N-]C)C(F)(F)F.C[N-]C(C)CC([N-]C)C(F)(F)F.[Ni]
InChIInChI=1S/2C7H13F3N2.Ni/c2*1-5(11-2)4-6(12-3)7(8,9)10;/h2*5-6H,4H2,1-3H3;/q2*-2;
InChIKeySJOGCYLJTXAXQO-UHFFFAOYSA-N
XLogP5.40
TPSA56.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.07
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

bis(ethyl-(4-ethylazanidyl-1,1,1-trifluoropentan-2-yl)azanide);nickel
CID 166057269
bis(methyl(4-methylazanidylpentan-2-yl)azanide);zinc
CID 166057289
ethane;methyl(4-methylazanidylpentan-2-yl)azanide;zinc
CID 168728778
butan-2-yl-(4-butan-2-ylazanidyl-1,1,1-trifluoropentan-2-yl)azanide;ethane;zinc
CID 168728711
bis(diethylazanide);bis(methyl(4-methylazanidylpentan-2-yl)azanide);zirconium
CID 5252145
1,1,1,7,7,7-hexafluoro-3,5-dimethylheptane
CID 155426955
(4S)-1,1,1-trifluoro-4,6-dimethyl-2-(trifluoromethyl)octane
CID 162565370
ethane;1,1,1-trifluoro-2-methylpropane
CID 155727070
1,1,1,3,3,3-hexafluoro-2-methylpropane
CID 158463707
5,5,5-trifluoro-4-methylpentan-2-amine
CID 55254968
(4R)-5,5,5-trifluoro-4-methylpent-1-ene
CID 89023731
methyl(2,2,2-trifluoroethylsulfonyl)azanide
CID 59280663

Frequently Asked Questions

What is the IUPAC name of bis(methyl-(1,1,1-trifluoro-4-methylazanidylpentan-2-yl)azanide);nickel?
The IUPAC name of bis(methyl-(1,1,1-trifluoro-4-methylazanidylpentan-2-yl)azanide);nickel (CID 166057276) is bis(methyl-(1,1,1-trifluoro-4-methylazanidylpentan-2-yl)azanide);nickel.
What is the SMILES notation for bis(methyl-(1,1,1-trifluoro-4-methylazanidylpentan-2-yl)azanide);nickel?
The canonical SMILES for bis(methyl-(1,1,1-trifluoro-4-methylazanidylpentan-2-yl)azanide);nickel is C[N-]C(C)CC([N-]C)C(F)(F)F.C[N-]C(C)CC([N-]C)C(F)(F)F.[Ni].
What is the InChIKey of bis(methyl-(1,1,1-trifluoro-4-methylazanidylpentan-2-yl)azanide);nickel?
The InChIKey is SJOGCYLJTXAXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H13F3N2.Ni/c2*1-5(11-2)4-6(12-3)7(8,9)10;/h2*5-6H,4H2,1-3H3;/q2*-2;.
What are the key properties of bis(methyl-(1,1,1-trifluoro-4-methylazanidylpentan-2-yl)azanide);nickel?
bis(methyl-(1,1,1-trifluoro-4-methylazanidylpentan-2-yl)azanide);nickel has a molecular weight of 423.07 g/mol, XLogP of 5.40, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(methyl-(1,1,1-trifluoro-4-methylazanidylpentan-2-yl)azanide);nickel is sourced from PubChem (CID 166057276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).