fluoromethyl-(2-methoxyethyl)-dimethylazanium iodide

C6H15FINO — CID 146629304

IUPACfluoromethyl-(2-methoxyethyl)-dimethylazanium iodide
SMILESCOCC[N+](C)(C)CF.[I-]
InChIInChI=1S/C6H15FNO.HI/c1-8(2,6-7)4-5-9-3;/h4-6H2,1-3H3;1H/q+1;/p-1
InChIKeyVRJWSQMGTBSLGI-UHFFFAOYSA-M
MW263.09 g/mol
LogP-2.36
Rot. Bonds4

About fluoromethyl-(2-methoxyethyl)-dimethylazanium iodide

fluoromethyl-(2-methoxyethyl)-dimethylazanium iodide (PubChem CID 146629304) has the molecular formula C6H15FINO and a molecular weight of 263.09 g/mol. Its IUPAC name is fluoromethyl-(2-methoxyethyl)-dimethylazanium iodide.

Molecular Properties

Compound Namefluoromethyl-(2-methoxyethyl)-dimethylazanium iodide
PubChem CID146629304
Molecular FormulaC6H15FINO
Molecular Weight263.09 g/mol
Exact Mass263.02
IUPAC Namefluoromethyl-(2-methoxyethyl)-dimethylazanium iodide
SMILESCOCC[N+](C)(C)CF.[I-]
InChIInChI=1S/C6H15FNO.HI/c1-8(2,6-7)4-5-9-3;/h4-6H2,1-3H3;1H/q+1;/p-1
InChIKeyVRJWSQMGTBSLGI-UHFFFAOYSA-M
XLogP-2.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.09
LogP ≤ 5-2.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethoxy)ethyl-(2-methoxyethyl)-dimethylazanium iodide
CID 167445578
bis(bis(2-methoxyethyl)-dimethylazanium);carbonate
CID 87147133
2-methoxyethyl(trimethyl)azanium chloride
CID 23352174
diethyl-(2-methoxyethyl)-methylazanium iodide
CID 71374868
2-methoxyethyl(trimethyl)azanium tetrafluoroborate
CID 87222095
carboxymethyl-(2-methoxyethyl)-dimethylazanium
CID 118019684
bis(2-methoxyethyl)-dimethylazanium;methyl carbonate
CID 167445577
2-methoxyethyl-dimethyl-(2-oxopropyl)azanium
CID 163394784
hexyl-(2-methoxyethyl)-dimethylazanium
CID 86100928
bis[2-(2-methoxyethoxy)ethyl]-dimethylazanium chloride
CID 129073269
hexyl-(2-methoxyethyl)-dimethylazanium bromide
CID 86100927
hydrogen carbonate;2-(2-methoxyethoxy)ethyl-(2-methoxyethyl)-dimethylazanium
CID 171569271

Frequently Asked Questions

What is the IUPAC name of fluoromethyl-(2-methoxyethyl)-dimethylazanium iodide?
The IUPAC name of fluoromethyl-(2-methoxyethyl)-dimethylazanium iodide (CID 146629304) is fluoromethyl-(2-methoxyethyl)-dimethylazanium iodide.
What is the SMILES notation for fluoromethyl-(2-methoxyethyl)-dimethylazanium iodide?
The canonical SMILES for fluoromethyl-(2-methoxyethyl)-dimethylazanium iodide is COCC[N+](C)(C)CF.[I-].
What is the InChIKey of fluoromethyl-(2-methoxyethyl)-dimethylazanium iodide?
The InChIKey is VRJWSQMGTBSLGI-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H15FNO.HI/c1-8(2,6-7)4-5-9-3;/h4-6H2,1-3H3;1H/q+1;/p-1.
What are the key properties of fluoromethyl-(2-methoxyethyl)-dimethylazanium iodide?
fluoromethyl-(2-methoxyethyl)-dimethylazanium iodide has a molecular weight of 263.09 g/mol, XLogP of -2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethyl-(2-methoxyethyl)-dimethylazanium iodide is sourced from PubChem (CID 146629304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).