dodecylazanium tetrafluoroborate

C12H28BF4N — CID 141181929

IUPACdodecylazanium tetrafluoroborate
SMILESCCCCCCCCCCCC[NH3+].F[B-](F)(F)F
InChIInChI=1S/C12H27N.BF4/c1-2-3-4-5-6-7-8-9-10-11-12-13;2-1(3,4)5/h2-13H2,1H3;/q;-1/p+1
InChIKeyOJBUFZJXUQSETB-UHFFFAOYSA-O
MW273.17 g/mol
LogP4.45
Rot. Bonds10

About dodecylazanium tetrafluoroborate

dodecylazanium tetrafluoroborate (PubChem CID 141181929) has the molecular formula C12H28BF4N and a molecular weight of 273.17 g/mol. Its IUPAC name is dodecylazanium tetrafluoroborate.

Molecular Properties

Compound Namedodecylazanium tetrafluoroborate
PubChem CID141181929
Molecular FormulaC12H28BF4N
Molecular Weight273.17 g/mol
Exact Mass273.23
IUPAC Namedodecylazanium tetrafluoroborate
SMILESCCCCCCCCCCCC[NH3+].F[B-](F)(F)F
InChIInChI=1S/C12H27N.BF4/c1-2-3-4-5-6-7-8-9-10-11-12-13;2-1(3,4)5/h2-13H2,1H3;/q;-1/p+1
InChIKeyOJBUFZJXUQSETB-UHFFFAOYSA-O
XLogP4.45
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tris(octadecylazanium);tribromide
CID 141071881
undecylazanium bromide
CID 87480687
tetratriacontylazanium bromide
CID 141191350
dodecylazanium;hydrochloride
CID 22568612
tridecylazanium;chloride;hydrate
CID 139080710
dodecylazanium;bromide;hydrate
CID 139078665
ethane;1-fluorohexane;hexylazanium
CID 145193616
hexylazanium;sulfate
CID 88757421
iminomethylideneazanide;bis(pentadecylazanium)
CID 156625536
octylazanium;carbonate
CID 141329834
octylazanium;sulfate
CID 87714647
acetonitrile;nonane;tetrafluoroborate
CID 175569585

Frequently Asked Questions

What is the IUPAC name of dodecylazanium tetrafluoroborate?
The IUPAC name of dodecylazanium tetrafluoroborate (CID 141181929) is dodecylazanium tetrafluoroborate.
What is the SMILES notation for dodecylazanium tetrafluoroborate?
The canonical SMILES for dodecylazanium tetrafluoroborate is CCCCCCCCCCCC[NH3+].F[B-](F)(F)F.
What is the InChIKey of dodecylazanium tetrafluoroborate?
The InChIKey is OJBUFZJXUQSETB-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H27N.BF4/c1-2-3-4-5-6-7-8-9-10-11-12-13;2-1(3,4)5/h2-13H2,1H3;/q;-1/p+1.
What are the key properties of dodecylazanium tetrafluoroborate?
dodecylazanium tetrafluoroborate has a molecular weight of 273.17 g/mol, XLogP of 4.45, 10 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecylazanium tetrafluoroborate is sourced from PubChem (CID 141181929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).