bis(tetrapropylazanium);bis(tribromo(fluoro)methane);diiodide

C26H56Br6F2I2N2 — CID 139199729

IUPACbis(tetrapropylazanium);bis(tribromo(fluoro)methane);diiodide
SMILESCCC[N+](CCC)(CCC)CCC.CCC[N+](CCC)(CCC)CCC.FC(Br)(Br)Br.FC(Br)(Br)Br.[I-].[I-]
InChIInChI=1S/2C12H28N.2CBr3F.2HI/c2*1-5-9-13(10-6-2,11-7-3)12-8-4;2*2-1(3,4)5;;/h2*5-12H2,1-4H3;;;2*1H/q2*+1;;;;/p-2
InChIKeyUPIINIGDLOTLRL-UHFFFAOYSA-L
MW1167.98 g/mol
LogP6.40
Rot. Bonds16

About bis(tetrapropylazanium);bis(tribromo(fluoro)methane);diiodide

bis(tetrapropylazanium);bis(tribromo(fluoro)methane);diiodide (PubChem CID 139199729) has the molecular formula C26H56Br6F2I2N2 and a molecular weight of 1167.98 g/mol. Its IUPAC name is bis(tetrapropylazanium);bis(tribromo(fluoro)methane);diiodide.

Molecular Properties

Compound Namebis(tetrapropylazanium);bis(tribromo(fluoro)methane);diiodide
PubChem CID139199729
Molecular FormulaC26H56Br6F2I2N2
Molecular Weight1167.98 g/mol
Exact Mass1161.76
IUPAC Namebis(tetrapropylazanium);bis(tribromo(fluoro)methane);diiodide
SMILESCCC[N+](CCC)(CCC)CCC.CCC[N+](CCC)(CCC)CCC.FC(Br)(Br)Br.FC(Br)(Br)Br.[I-].[I-]
InChIInChI=1S/2C12H28N.2CBr3F.2HI/c2*1-5-9-13(10-6-2,11-7-3)12-8-4;2*2-1(3,4)5;;/h2*5-12H2,1-4H3;;;2*1H/q2*+1;;;;/p-2
InChIKeyUPIINIGDLOTLRL-UHFFFAOYSA-L
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001167.98
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 18954503
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tetrapropylazanium;bromide;hydrobromide
CID 87689277
tripropyl-[4-(tripropylazaniumyl)butyl]azanium
CID 86186380
bis(trifluoromethylsulfonyl)azanide;tetrapropylazanium
CID 141376230
tetrapropylazanium periodate
CID 3020483
3-bromopropyl(tripropyl)azanium bromide
CID 86627325
propyl-tri(tetradecyl)azanium
CID 22408967
dihexyl(dipropyl)azanium
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propyl-tri(undecyl)azanium
CID 54352857
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Frequently Asked Questions

What is the IUPAC name of bis(tetrapropylazanium);bis(tribromo(fluoro)methane);diiodide?
The IUPAC name of bis(tetrapropylazanium);bis(tribromo(fluoro)methane);diiodide (CID 139199729) is bis(tetrapropylazanium);bis(tribromo(fluoro)methane);diiodide.
What is the SMILES notation for bis(tetrapropylazanium);bis(tribromo(fluoro)methane);diiodide?
The canonical SMILES for bis(tetrapropylazanium);bis(tribromo(fluoro)methane);diiodide is CCC[N+](CCC)(CCC)CCC.CCC[N+](CCC)(CCC)CCC.FC(Br)(Br)Br.FC(Br)(Br)Br.[I-].[I-].
What is the InChIKey of bis(tetrapropylazanium);bis(tribromo(fluoro)methane);diiodide?
The InChIKey is UPIINIGDLOTLRL-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H28N.2CBr3F.2HI/c2*1-5-9-13(10-6-2,11-7-3)12-8-4;2*2-1(3,4)5;;/h2*5-12H2,1-4H3;;;2*1H/q2*+1;;;;/p-2.
What are the key properties of bis(tetrapropylazanium);bis(tribromo(fluoro)methane);diiodide?
bis(tetrapropylazanium);bis(tribromo(fluoro)methane);diiodide has a molecular weight of 1167.98 g/mol, XLogP of 6.40, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tetrapropylazanium);bis(tribromo(fluoro)methane);diiodide is sourced from PubChem (CID 139199729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).