(C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide;nickel

C8H14F3N2Ni- — CID 168742368

IUPAC(C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide;nickel
SMILESC/C(=N\C(C)C)[N-]C(C)C(F)(F)F.[Ni]
InChIInChI=1S/C8H14F3N2.Ni/c1-5(2)12-7(4)13-6(3)8(9,10)11;/h5-6H,1-4H3;/q-1;
InChIKeyQPOLESDFYLHBJV-UHFFFAOYSA-N
MW253.90 g/mol
LogP3.14
Rot. Bonds2

About (C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide;nickel

(C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide;nickel (PubChem CID 168742368) has the molecular formula C8H14F3N2Ni- and a molecular weight of 253.90 g/mol. Its IUPAC name is (C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide;nickel.

Molecular Properties

Compound Name(C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide;nickel
PubChem CID168742368
Molecular FormulaC8H14F3N2Ni-
Molecular Weight253.90 g/mol
Exact Mass253.05
IUPAC Name(C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide;nickel
SMILESC/C(=N\C(C)C)[N-]C(C)C(F)(F)F.[Ni]
InChIInChI=1S/C8H14F3N2.Ni/c1-5(2)12-7(4)13-6(3)8(9,10)11;/h5-6H,1-4H3;/q-1;
InChIKeyQPOLESDFYLHBJV-UHFFFAOYSA-N
XLogP3.14
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.90
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide;nickel?
The IUPAC name of (C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide;nickel (CID 168742368) is (C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide;nickel.
What is the SMILES notation for (C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide;nickel?
The canonical SMILES for (C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide;nickel is C/C(=N\C(C)C)[N-]C(C)C(F)(F)F.[Ni].
What is the InChIKey of (C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide;nickel?
The InChIKey is QPOLESDFYLHBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N2.Ni/c1-5(2)12-7(4)13-6(3)8(9,10)11;/h5-6H,1-4H3;/q-1;.
What are the key properties of (C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide;nickel?
(C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide;nickel has a molecular weight of 253.90 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide;nickel is sourced from PubChem (CID 168742368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).