iodozinc(1+);1,1,1-trifluoro-2-methanidyl-2-methylpropane

C5H8F3IZn — CID 153296531

IUPACiodozinc(1+);1,1,1-trifluoro-2-methanidyl-2-methylpropane
SMILES[CH2-]C(C)(C)C(F)(F)F.[Zn+]I
InChIInChI=1S/C5H8F3.HI.Zn/c1-4(2,3)5(6,7)8;;/h1H2,2-3H3;1H;/q-1;;+2/p-1
InChIKeyAKCQBMVAYIGJDQ-UHFFFAOYSA-M
MW317.41 g/mol
LogP3.29
Rot. Bonds

About iodozinc(1+);1,1,1-trifluoro-2-methanidyl-2-methylpropane

iodozinc(1+);1,1,1-trifluoro-2-methanidyl-2-methylpropane (PubChem CID 153296531) has the molecular formula C5H8F3IZn and a molecular weight of 317.41 g/mol. Its IUPAC name is iodozinc(1+);1,1,1-trifluoro-2-methanidyl-2-methylpropane.

Molecular Properties

Compound Nameiodozinc(1+);1,1,1-trifluoro-2-methanidyl-2-methylpropane
PubChem CID153296531
Molecular FormulaC5H8F3IZn
Molecular Weight317.41 g/mol
Exact Mass315.89
IUPAC Nameiodozinc(1+);1,1,1-trifluoro-2-methanidyl-2-methylpropane
SMILES[CH2-]C(C)(C)C(F)(F)F.[Zn+]I
InChIInChI=1S/C5H8F3.HI.Zn/c1-4(2,3)5(6,7)8;;/h1H2,2-3H3;1H;/q-1;;+2/p-1
InChIKeyAKCQBMVAYIGJDQ-UHFFFAOYSA-M
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.29
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of iodozinc(1+);1,1,1-trifluoro-2-methanidyl-2-methylpropane?
The IUPAC name of iodozinc(1+);1,1,1-trifluoro-2-methanidyl-2-methylpropane (CID 153296531) is iodozinc(1+);1,1,1-trifluoro-2-methanidyl-2-methylpropane.
What is the SMILES notation for iodozinc(1+);1,1,1-trifluoro-2-methanidyl-2-methylpropane?
The canonical SMILES for iodozinc(1+);1,1,1-trifluoro-2-methanidyl-2-methylpropane is [CH2-]C(C)(C)C(F)(F)F.[Zn+]I.
What is the InChIKey of iodozinc(1+);1,1,1-trifluoro-2-methanidyl-2-methylpropane?
The InChIKey is AKCQBMVAYIGJDQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H8F3.HI.Zn/c1-4(2,3)5(6,7)8;;/h1H2,2-3H3;1H;/q-1;;+2/p-1.
What are the key properties of iodozinc(1+);1,1,1-trifluoro-2-methanidyl-2-methylpropane?
iodozinc(1+);1,1,1-trifluoro-2-methanidyl-2-methylpropane has a molecular weight of 317.41 g/mol, XLogP of 3.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iodozinc(1+);1,1,1-trifluoro-2-methanidyl-2-methylpropane is sourced from PubChem (CID 153296531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).