triethyl(methyl)azanium;trifluoro borate;iodide

C7H18BF3INO3 — CID 175209505

IUPACtriethyl(methyl)azanium;trifluoro borate;iodide
SMILESCC[N+](C)(CC)CC.FOB(OF)OF.[I-]
InChIInChI=1S/C7H18N.BF3O3.HI/c1-5-8(4,6-2)7-3;2-5-1(6-3)7-4;/h5-7H2,1-4H3;;1H/q+1;;/p-1
InChIKeyFTQIKXWTYLMRIJ-UHFFFAOYSA-M
MW358.94 g/mol
LogP-0.83
Rot. Bonds6

About triethyl(methyl)azanium;trifluoro borate;iodide

triethyl(methyl)azanium;trifluoro borate;iodide (PubChem CID 175209505) has the molecular formula C7H18BF3INO3 and a molecular weight of 358.94 g/mol. Its IUPAC name is triethyl(methyl)azanium;trifluoro borate;iodide.

Molecular Properties

Compound Nametriethyl(methyl)azanium;trifluoro borate;iodide
PubChem CID175209505
Molecular FormulaC7H18BF3INO3
Molecular Weight358.94 g/mol
Exact Mass359.04
IUPAC Nametriethyl(methyl)azanium;trifluoro borate;iodide
SMILESCC[N+](C)(CC)CC.FOB(OF)OF.[I-]
InChIInChI=1S/C7H18N.BF3O3.HI/c1-5-8(4,6-2)7-3;2-5-1(6-3)7-4;/h5-7H2,1-4H3;;1H/q+1;;/p-1
InChIKeyFTQIKXWTYLMRIJ-UHFFFAOYSA-M
XLogP-0.83
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.94
LogP ≤ 5-0.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

trifluoro borate
CID 21217296
hydron;triethyl(methyl)azanium;tetrafluoroborate
CID 87302670
bromo(trifluoro)boranuide;triethyl(methyl)azanium
CID 140836561
triethyl(methyl)azanium iodate
CID 158535675
perchloric acid;triethyl(methyl)azanium
CID 87764447
ethyl sulfate;triethyl(methyl)azanium
CID 118676380
diethyl-(2-methoxyethyl)-methylazanium iodide
CID 71374868
diethyl-(3-fluoroprop-2-enyl)-methylazanium
CID 59100565
bromo(trichloro)boranuide;triethyl(methyl)azanium
CID 140836548
methanesulfonic acid;triethyl(methyl)azanium
CID 87743130
ethoxymethyl-diethyl-methylazanium
CID 23136746
phenol;triethyl(methyl)azanium
CID 159672401

Frequently Asked Questions

What is the IUPAC name of triethyl(methyl)azanium;trifluoro borate;iodide?
The IUPAC name of triethyl(methyl)azanium;trifluoro borate;iodide (CID 175209505) is triethyl(methyl)azanium;trifluoro borate;iodide.
What is the SMILES notation for triethyl(methyl)azanium;trifluoro borate;iodide?
The canonical SMILES for triethyl(methyl)azanium;trifluoro borate;iodide is CC[N+](C)(CC)CC.FOB(OF)OF.[I-].
What is the InChIKey of triethyl(methyl)azanium;trifluoro borate;iodide?
The InChIKey is FTQIKXWTYLMRIJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H18N.BF3O3.HI/c1-5-8(4,6-2)7-3;2-5-1(6-3)7-4;/h5-7H2,1-4H3;;1H/q+1;;/p-1.
What are the key properties of triethyl(methyl)azanium;trifluoro borate;iodide?
triethyl(methyl)azanium;trifluoro borate;iodide has a molecular weight of 358.94 g/mol, XLogP of -0.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(methyl)azanium;trifluoro borate;iodide is sourced from PubChem (CID 175209505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).