fluoro-(2-methoxy-2-methylpropyl)iodanium

C5H11FIO+ — CID 146964704

IUPACfluoro-(2-methoxy-2-methylpropyl)iodanium
SMILESCOC(C)(C)C[I+]F
InChIInChI=1S/C5H11FIO/c1-5(2,8-3)4-7-6/h4H2,1-3H3/q+1
InChIKeyALGQDODOXFTNRA-UHFFFAOYSA-N
MW233.04 g/mol
LogP-1.62
Rot. Bonds3

About fluoro-(2-methoxy-2-methylpropyl)iodanium

fluoro-(2-methoxy-2-methylpropyl)iodanium (PubChem CID 146964704) has the molecular formula C5H11FIO+ and a molecular weight of 233.04 g/mol. Its IUPAC name is fluoro-(2-methoxy-2-methylpropyl)iodanium.

Molecular Properties

Compound Namefluoro-(2-methoxy-2-methylpropyl)iodanium
PubChem CID146964704
Molecular FormulaC5H11FIO+
Molecular Weight233.04 g/mol
Exact Mass232.98
IUPAC Namefluoro-(2-methoxy-2-methylpropyl)iodanium
SMILESCOC(C)(C)C[I+]F
InChIInChI=1S/C5H11FIO/c1-5(2,8-3)4-7-6/h4H2,1-3H3/q+1
InChIKeyALGQDODOXFTNRA-UHFFFAOYSA-N
XLogP-1.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.04
LogP ≤ 5-1.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of fluoro-(2-methoxy-2-methylpropyl)iodanium?
The IUPAC name of fluoro-(2-methoxy-2-methylpropyl)iodanium (CID 146964704) is fluoro-(2-methoxy-2-methylpropyl)iodanium.
What is the SMILES notation for fluoro-(2-methoxy-2-methylpropyl)iodanium?
The canonical SMILES for fluoro-(2-methoxy-2-methylpropyl)iodanium is COC(C)(C)C[I+]F.
What is the InChIKey of fluoro-(2-methoxy-2-methylpropyl)iodanium?
The InChIKey is ALGQDODOXFTNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FIO/c1-5(2,8-3)4-7-6/h4H2,1-3H3/q+1.
What are the key properties of fluoro-(2-methoxy-2-methylpropyl)iodanium?
fluoro-(2-methoxy-2-methylpropyl)iodanium has a molecular weight of 233.04 g/mol, XLogP of -1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-(2-methoxy-2-methylpropyl)iodanium is sourced from PubChem (CID 146964704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).