(N-tert-butyl-C-ethylcarbonimidoyl)-(2,2,2-trifluoroethyl)azanide;zinc

C9H16F3N2Zn- — CID 168742270

IUPAC(N-tert-butyl-C-ethylcarbonimidoyl)-(2,2,2-trifluoroethyl)azanide;zinc
SMILESCC/C(=N\C(C)(C)C)[N-]CC(F)(F)F.[Zn]
InChIInChI=1S/C9H16F3N2.Zn/c1-5-7(14-8(2,3)4)13-6-9(10,11)12;/h5-6H2,1-4H3;/q-1;
InChIKeyILBRTRGSBJODAE-UHFFFAOYSA-N
MW274.62 g/mol
LogP3.53
Rot. Bonds2

About (N-tert-butyl-C-ethylcarbonimidoyl)-(2,2,2-trifluoroethyl)azanide;zinc

(N-tert-butyl-C-ethylcarbonimidoyl)-(2,2,2-trifluoroethyl)azanide;zinc (PubChem CID 168742270) has the molecular formula C9H16F3N2Zn- and a molecular weight of 274.62 g/mol. Its IUPAC name is (N-tert-butyl-C-ethylcarbonimidoyl)-(2,2,2-trifluoroethyl)azanide;zinc.

Molecular Properties

Compound Name(N-tert-butyl-C-ethylcarbonimidoyl)-(2,2,2-trifluoroethyl)azanide;zinc
PubChem CID168742270
Molecular FormulaC9H16F3N2Zn-
Molecular Weight274.62 g/mol
Exact Mass273.06
IUPAC Name(N-tert-butyl-C-ethylcarbonimidoyl)-(2,2,2-trifluoroethyl)azanide;zinc
SMILESCC/C(=N\C(C)(C)C)[N-]CC(F)(F)F.[Zn]
InChIInChI=1S/C9H16F3N2.Zn/c1-5-7(14-8(2,3)4)13-6-9(10,11)12;/h5-6H2,1-4H3;/q-1;
InChIKeyILBRTRGSBJODAE-UHFFFAOYSA-N
XLogP3.53
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.62
LogP ≤ 53.53
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 (N-tert-butyl-C-ethylcarbonimidoyl)-(2,2,2-trifluoroethyl)azanide;zinc?
The IUPAC name of (N-tert-butyl-C-ethylcarbonimidoyl)-(2,2,2-trifluoroethyl)azanide;zinc (CID 168742270) is (N-tert-butyl-C-ethylcarbonimidoyl)-(2,2,2-trifluoroethyl)azanide;zinc.
What is the SMILES notation for (N-tert-butyl-C-ethylcarbonimidoyl)-(2,2,2-trifluoroethyl)azanide;zinc?
The canonical SMILES for (N-tert-butyl-C-ethylcarbonimidoyl)-(2,2,2-trifluoroethyl)azanide;zinc is CC/C(=N\C(C)(C)C)[N-]CC(F)(F)F.[Zn].
What is the InChIKey of (N-tert-butyl-C-ethylcarbonimidoyl)-(2,2,2-trifluoroethyl)azanide;zinc?
The InChIKey is ILBRTRGSBJODAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N2.Zn/c1-5-7(14-8(2,3)4)13-6-9(10,11)12;/h5-6H2,1-4H3;/q-1;.
What are the key properties of (N-tert-butyl-C-ethylcarbonimidoyl)-(2,2,2-trifluoroethyl)azanide;zinc?
(N-tert-butyl-C-ethylcarbonimidoyl)-(2,2,2-trifluoroethyl)azanide;zinc has a molecular weight of 274.62 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (N-tert-butyl-C-ethylcarbonimidoyl)-(2,2,2-trifluoroethyl)azanide;zinc is sourced from PubChem (CID 168742270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).