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

C8H14CoF3N2- — CID 168742286

IUPACcobalt;(C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide
SMILESC/C(=N\C(C)C)[N-]C(C)C(F)(F)F.[Co]
InChIInChI=1S/C8H14F3N2.Co/c1-5(2)12-7(4)13-6(3)8(9,10)11;/h5-6H,1-4H3;/q-1;
InChIKeyBQTNJLGVVIATBE-UHFFFAOYSA-N
MW254.14 g/mol
LogP3.14
Rot. Bonds2

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

cobalt;(C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide (PubChem CID 168742286) has the molecular formula C8H14CoF3N2- and a molecular weight of 254.14 g/mol. Its IUPAC name is cobalt;(C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide.

Molecular Properties

Compound Namecobalt;(C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide
PubChem CID168742286
Molecular FormulaC8H14CoF3N2-
Molecular Weight254.14 g/mol
Exact Mass254.04
IUPAC Namecobalt;(C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide
SMILESC/C(=N\C(C)C)[N-]C(C)C(F)(F)F.[Co]
InChIInChI=1S/C8H14F3N2.Co/c1-5(2)12-7(4)13-6(3)8(9,10)11;/h5-6H,1-4H3;/q-1;
InChIKeyBQTNJLGVVIATBE-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 ≤ 500254.14
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 cobalt;(C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide?
The IUPAC name of cobalt;(C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide (CID 168742286) is cobalt;(C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide.
What is the SMILES notation for cobalt;(C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide?
The canonical SMILES for cobalt;(C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide is C/C(=N\C(C)C)[N-]C(C)C(F)(F)F.[Co].
What is the InChIKey of cobalt;(C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide?
The InChIKey is BQTNJLGVVIATBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N2.Co/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 cobalt;(C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide?
cobalt;(C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide has a molecular weight of 254.14 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 cobalt;(C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide is sourced from PubChem (CID 168742286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).