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

C8H14F3N2Zn- — CID 168742292

IUPAC(C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide;zinc
SMILESC/C(=N\C(C)C)[N-]C(C)C(F)(F)F.[Zn]
InChIInChI=1S/C8H14F3N2.Zn/c1-5(2)12-7(4)13-6(3)8(9,10)11;/h5-6H,1-4H3;/q-1;
InChIKeyKMBPXDNFKLIOOF-UHFFFAOYSA-N
MW260.60 g/mol
LogP3.14
Rot. Bonds2

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

(C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide;zinc (PubChem CID 168742292) has the molecular formula C8H14F3N2Zn- and a molecular weight of 260.60 g/mol. Its IUPAC name is (C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide;zinc.

Molecular Properties

Compound Name(C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide;zinc
PubChem CID168742292
Molecular FormulaC8H14F3N2Zn-
Molecular Weight260.60 g/mol
Exact Mass259.04
IUPAC Name(C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide;zinc
SMILESC/C(=N\C(C)C)[N-]C(C)C(F)(F)F.[Zn]
InChIInChI=1S/C8H14F3N2.Zn/c1-5(2)12-7(4)13-6(3)8(9,10)11;/h5-6H,1-4H3;/q-1;
InChIKeyKMBPXDNFKLIOOF-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 ≤ 500260.60
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'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;zinc?
The IUPAC name of (C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide;zinc (CID 168742292) is (C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide;zinc.
What is the SMILES notation for (C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide;zinc?
The canonical SMILES for (C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide;zinc is C/C(=N\C(C)C)[N-]C(C)C(F)(F)F.[Zn].
What is the InChIKey of (C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide;zinc?
The InChIKey is KMBPXDNFKLIOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N2.Zn/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;zinc?
(C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide;zinc has a molecular weight of 260.60 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;zinc is sourced from PubChem (CID 168742292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).