hexadecyl(trimethyl)azanium;fluoride;dihydrofluoride

C19H44F3N — CID 173060050

IUPAChexadecyl(trimethyl)azanium;fluoride;dihydrofluoride
SMILESCCCCCCCCCCCCCCCC[N+](C)(C)C.F.F.[F-]
InChIInChI=1S/C19H42N.3FH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;;;/h5-19H2,1-4H3;3*1H/q+1;;;/p-1
InChIKeyHUMAOOINKMARNF-UHFFFAOYSA-M
MW343.56 g/mol
LogP3.48
Rot. Bonds15

About hexadecyl(trimethyl)azanium;fluoride;dihydrofluoride

hexadecyl(trimethyl)azanium;fluoride;dihydrofluoride (PubChem CID 173060050) has the molecular formula C19H44F3N and a molecular weight of 343.56 g/mol. Its IUPAC name is hexadecyl(trimethyl)azanium;fluoride;dihydrofluoride.

Molecular Properties

Compound Namehexadecyl(trimethyl)azanium;fluoride;dihydrofluoride
PubChem CID173060050
Molecular FormulaC19H44F3N
Molecular Weight343.56 g/mol
Exact Mass343.34
IUPAC Namehexadecyl(trimethyl)azanium;fluoride;dihydrofluoride
SMILESCCCCCCCCCCCCCCCC[N+](C)(C)C.F.F.[F-]
InChIInChI=1S/C19H42N.3FH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;;;/h5-19H2,1-4H3;3*1H/q+1;;;/p-1
InChIKeyHUMAOOINKMARNF-UHFFFAOYSA-M
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.56
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trimethyl(tetradecyl)azanium
CID 14251
trimethyl(pentatriacontyl)azanium
CID 118223294
trimethyl(nonatetracontyl)azanium
CID 118223275
trimethyl(octyl)azanium;trihydrobromide
CID 173358284
dodecyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride
CID 156699611
trimethyl(pentacontyl)azanium bromide
CID 118223247
hexadecyl(trimethyl)azanium;trihydroiodide
CID 173462414
hexadecyl(trimethyl)azanium;propane
CID 174976794
docosyl(trimethyl)azanium;hexadecyl(trimethyl)azanium;trimethyl(octadecyl)azanium;trichloride
CID 160555820
hexadecyl(trimethyl)azanium;pentane
CID 88632399
dotetracontyl(trimethyl)azanium chloride
CID 141323567
hexatetracontyl(trimethyl)azanium chloride
CID 118223387

Frequently Asked Questions

What is the IUPAC name of hexadecyl(trimethyl)azanium;fluoride;dihydrofluoride?
The IUPAC name of hexadecyl(trimethyl)azanium;fluoride;dihydrofluoride (CID 173060050) is hexadecyl(trimethyl)azanium;fluoride;dihydrofluoride.
What is the SMILES notation for hexadecyl(trimethyl)azanium;fluoride;dihydrofluoride?
The canonical SMILES for hexadecyl(trimethyl)azanium;fluoride;dihydrofluoride is CCCCCCCCCCCCCCCC[N+](C)(C)C.F.F.[F-].
What is the InChIKey of hexadecyl(trimethyl)azanium;fluoride;dihydrofluoride?
The InChIKey is HUMAOOINKMARNF-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H42N.3FH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;;;/h5-19H2,1-4H3;3*1H/q+1;;;/p-1.
What are the key properties of hexadecyl(trimethyl)azanium;fluoride;dihydrofluoride?
hexadecyl(trimethyl)azanium;fluoride;dihydrofluoride has a molecular weight of 343.56 g/mol, XLogP of 3.48, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecyl(trimethyl)azanium;fluoride;dihydrofluoride is sourced from PubChem (CID 173060050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).