8-hydroxydodecyl(trimethyl)azanium fluoride

C15H34FNO — CID 88724146

IUPAC8-hydroxydodecyl(trimethyl)azanium fluoride
SMILESCCCCC(O)CCCCCCC[N+](C)(C)C.[F-]
InChIInChI=1S/C15H34NO.FH/c1-5-6-12-15(17)13-10-8-7-9-11-14-16(2,3)4;/h15,17H,5-14H2,1-4H3;1H/q+1;/p-1
InChIKeySNDPHIIDPOQCQO-UHFFFAOYSA-M
MW263.44 g/mol
LogP0.59
Rot. Bonds11

About 8-hydroxydodecyl(trimethyl)azanium fluoride

8-hydroxydodecyl(trimethyl)azanium fluoride (PubChem CID 88724146) has the molecular formula C15H34FNO and a molecular weight of 263.44 g/mol. Its IUPAC name is 8-hydroxydodecyl(trimethyl)azanium fluoride.

Molecular Properties

Compound Name8-hydroxydodecyl(trimethyl)azanium fluoride
PubChem CID88724146
Molecular FormulaC15H34FNO
Molecular Weight263.44 g/mol
Exact Mass263.26
IUPAC Name8-hydroxydodecyl(trimethyl)azanium fluoride
SMILESCCCCC(O)CCCCCCC[N+](C)(C)C.[F-]
InChIInChI=1S/C15H34NO.FH/c1-5-6-12-15(17)13-10-8-7-9-11-14-16(2,3)4;/h15,17H,5-14H2,1-4H3;1H/q+1;/p-1
InChIKeySNDPHIIDPOQCQO-UHFFFAOYSA-M
XLogP0.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.44
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

8-hydroxydodecyl(trimethyl)azanium
CID 88724147
tritetracontan-5-ol
CID 162898528
(5S)-octadecan-5-ol
CID 98231191
icosane-5,11-diol
CID 170722582
icosane-5,10-diol
CID 170722579
dodecan-5-ol;phosphane;sulfane;zinc
CID 174611842
octadecane-2,14-diol
CID 170722506
8-hydroxydodecan-2-yl(trimethyl)azanium
CID 174636194
nonacosane-7,20-diol
CID 174949468
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
(7R)-hexatriacontan-7-ol
CID 88529159

Frequently Asked Questions

What is the IUPAC name of 8-hydroxydodecyl(trimethyl)azanium fluoride?
The IUPAC name of 8-hydroxydodecyl(trimethyl)azanium fluoride (CID 88724146) is 8-hydroxydodecyl(trimethyl)azanium fluoride.
What is the SMILES notation for 8-hydroxydodecyl(trimethyl)azanium fluoride?
The canonical SMILES for 8-hydroxydodecyl(trimethyl)azanium fluoride is CCCCC(O)CCCCCCC[N+](C)(C)C.[F-].
What is the InChIKey of 8-hydroxydodecyl(trimethyl)azanium fluoride?
The InChIKey is SNDPHIIDPOQCQO-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H34NO.FH/c1-5-6-12-15(17)13-10-8-7-9-11-14-16(2,3)4;/h15,17H,5-14H2,1-4H3;1H/q+1;/p-1.
What are the key properties of 8-hydroxydodecyl(trimethyl)azanium fluoride?
8-hydroxydodecyl(trimethyl)azanium fluoride has a molecular weight of 263.44 g/mol, XLogP of 0.59, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxydodecyl(trimethyl)azanium fluoride is sourced from PubChem (CID 88724146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).