didodecylazanium fluoride

C24H52FN — CID 87135434

IUPACdidodecylazanium fluoride
SMILESCCCCCCCCCCCC[NH2+]CCCCCCCCCCCC.[F-]
InChIInChI=1S/C24H51N.FH/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2;/h25H,3-24H2,1-2H3;1H
InChIKeyKKHGTTCNJIYKQS-UHFFFAOYSA-N
MW373.69 g/mol
LogP4.40
Rot. Bonds22

About didodecylazanium fluoride

didodecylazanium fluoride (PubChem CID 87135434) has the molecular formula C24H52FN and a molecular weight of 373.69 g/mol. Its IUPAC name is didodecylazanium fluoride.

Molecular Properties

Compound Namedidodecylazanium fluoride
PubChem CID87135434
Molecular FormulaC24H52FN
Molecular Weight373.69 g/mol
Exact Mass373.41
IUPAC Namedidodecylazanium fluoride
SMILESCCCCCCCCCCCC[NH2+]CCCCCCCCCCCC.[F-]
InChIInChI=1S/C24H51N.FH/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2;/h25H,3-24H2,1-2H3;1H
InChIKeyKKHGTTCNJIYKQS-UHFFFAOYSA-N
XLogP4.40
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.69
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

butyl(dodecyl)azanium
CID 91941247
butyl(tetradecyl)azanium chloride
CID 20788665
azanium;dioctadecylazanium;dichloride
CID 172767895
dioctadecylazanium tetrafluoroborate
CID 140565722
ethyl(tridecyl)azanium iodide
CID 88651524
2-hydroxyethyl(nonyl)azanium iodide
CID 175684966
decyl-[6-(decylazaniumyl)hexyl]-dimethylazanium
CID 131700914
tert-butyl-[2-(hexylazaniumyl)ethyl]azanium
CID 7172003
tert-butyl-[2-(pentylazaniumyl)ethyl]azanium
CID 7172001
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
heptahectane
CID 123338944

Frequently Asked Questions

What is the IUPAC name of didodecylazanium fluoride?
The IUPAC name of didodecylazanium fluoride (CID 87135434) is didodecylazanium fluoride.
What is the SMILES notation for didodecylazanium fluoride?
The canonical SMILES for didodecylazanium fluoride is CCCCCCCCCCCC[NH2+]CCCCCCCCCCCC.[F-].
What is the InChIKey of didodecylazanium fluoride?
The InChIKey is KKHGTTCNJIYKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51N.FH/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2;/h25H,3-24H2,1-2H3;1H.
What are the key properties of didodecylazanium fluoride?
didodecylazanium fluoride has a molecular weight of 373.69 g/mol, XLogP of 4.40, 22 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for didodecylazanium fluoride is sourced from PubChem (CID 87135434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).