zinc;1,1,1-trifluoro-2-methanidyl-2-methylpropane;bromide

C5H8BrF3Zn — CID 122685008

IUPACzinc;1,1,1-trifluoro-2-methanidyl-2-methylpropane;bromide
SMILES[Br-].[CH2-]C(C)(C)C(F)(F)F.[Zn+2]
InChIInChI=1S/C5H8F3.BrH.Zn/c1-4(2,3)5(6,7)8;;/h1H2,2-3H3;1H;/q-1;;+2/p-1
InChIKeyMTYFETJHENWIIX-UHFFFAOYSA-M
MW270.41 g/mol
LogP-0.59
Rot. Bonds

About zinc;1,1,1-trifluoro-2-methanidyl-2-methylpropane;bromide

zinc;1,1,1-trifluoro-2-methanidyl-2-methylpropane;bromide (PubChem CID 122685008) has the molecular formula C5H8BrF3Zn and a molecular weight of 270.41 g/mol. Its IUPAC name is zinc;1,1,1-trifluoro-2-methanidyl-2-methylpropane;bromide.

Molecular Properties

Compound Namezinc;1,1,1-trifluoro-2-methanidyl-2-methylpropane;bromide
PubChem CID122685008
Molecular FormulaC5H8BrF3Zn
Molecular Weight270.41 g/mol
Exact Mass267.91
IUPAC Namezinc;1,1,1-trifluoro-2-methanidyl-2-methylpropane;bromide
SMILES[Br-].[CH2-]C(C)(C)C(F)(F)F.[Zn+2]
InChIInChI=1S/C5H8F3.BrH.Zn/c1-4(2,3)5(6,7)8;;/h1H2,2-3H3;1H;/q-1;;+2/p-1
InChIKeyMTYFETJHENWIIX-UHFFFAOYSA-M
XLogP-0.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 5-0.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze zinc;1,1,1-trifluoro-2-methanidyl-2-methylpropane;bromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of zinc;1,1,1-trifluoro-2-methanidyl-2-methylpropane;bromide?
The IUPAC name of zinc;1,1,1-trifluoro-2-methanidyl-2-methylpropane;bromide (CID 122685008) is zinc;1,1,1-trifluoro-2-methanidyl-2-methylpropane;bromide.
What is the SMILES notation for zinc;1,1,1-trifluoro-2-methanidyl-2-methylpropane;bromide?
The canonical SMILES for zinc;1,1,1-trifluoro-2-methanidyl-2-methylpropane;bromide is [Br-].[CH2-]C(C)(C)C(F)(F)F.[Zn+2].
What is the InChIKey of zinc;1,1,1-trifluoro-2-methanidyl-2-methylpropane;bromide?
The InChIKey is MTYFETJHENWIIX-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H8F3.BrH.Zn/c1-4(2,3)5(6,7)8;;/h1H2,2-3H3;1H;/q-1;;+2/p-1.
What are the key properties of zinc;1,1,1-trifluoro-2-methanidyl-2-methylpropane;bromide?
zinc;1,1,1-trifluoro-2-methanidyl-2-methylpropane;bromide has a molecular weight of 270.41 g/mol, XLogP of -0.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;1,1,1-trifluoro-2-methanidyl-2-methylpropane;bromide is sourced from PubChem (CID 122685008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).