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

C8H14F3MnN2- — CID 168742251

IUPACmanganese;(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.[Mn]
InChIInChI=1S/C8H14F3N2.Mn/c1-5(2)12-7(4)13-6(3)8(9,10)11;/h5-6H,1-4H3;/q-1;
InChIKeyIJNMEJZCFFFLFX-UHFFFAOYSA-N
MW250.15 g/mol
LogP3.14
Rot. Bonds2

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

manganese;(C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide (PubChem CID 168742251) has the molecular formula C8H14F3MnN2- and a molecular weight of 250.15 g/mol. Its IUPAC name is manganese;(C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide.

Molecular Properties

Compound Namemanganese;(C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide
PubChem CID168742251
Molecular FormulaC8H14F3MnN2-
Molecular Weight250.15 g/mol
Exact Mass250.05
IUPAC Namemanganese;(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.[Mn]
InChIInChI=1S/C8H14F3N2.Mn/c1-5(2)12-7(4)13-6(3)8(9,10)11;/h5-6H,1-4H3;/q-1;
InChIKeyIJNMEJZCFFFLFX-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 ≤ 500250.15
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 manganese;(C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide?
The IUPAC name of manganese;(C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide (CID 168742251) is manganese;(C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide.
What is the SMILES notation for manganese;(C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide?
The canonical SMILES for manganese;(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.[Mn].
What is the InChIKey of manganese;(C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide?
The InChIKey is IJNMEJZCFFFLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N2.Mn/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 manganese;(C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide?
manganese;(C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide has a molecular weight of 250.15 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 manganese;(C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide is sourced from PubChem (CID 168742251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).