2,2-didodecylmorpholine;hydrofluoride

C28H58FNO — CID 173000581

IUPAC2,2-didodecylmorpholine;hydrofluoride
SMILESCCCCCCCCCCCCC1(CCCCCCCCCCCC)CNCCO1.F
InChIInChI=1S/C28H57NO.FH/c1-3-5-7-9-11-13-15-17-19-21-23-28(27-29-25-26-30-28)24-22-20-18-16-14-12-10-8-6-4-2;/h29H,3-27H2,1-2H3;1H
InChIKeyXJXYRZMQXAKIKR-UHFFFAOYSA-N
MW443.78 g/mol
LogP9.12
Rot. Bonds22

About 2,2-didodecylmorpholine;hydrofluoride

2,2-didodecylmorpholine;hydrofluoride (PubChem CID 173000581) has the molecular formula C28H58FNO and a molecular weight of 443.78 g/mol. Its IUPAC name is 2,2-didodecylmorpholine;hydrofluoride.

Molecular Properties

Compound Name2,2-didodecylmorpholine;hydrofluoride
PubChem CID173000581
Molecular FormulaC28H58FNO
Molecular Weight443.78 g/mol
Exact Mass443.45
IUPAC Name2,2-didodecylmorpholine;hydrofluoride
SMILESCCCCCCCCCCCCC1(CCCCCCCCCCCC)CNCCO1.F
InChIInChI=1S/C28H57NO.FH/c1-3-5-7-9-11-13-15-17-19-21-23-28(27-29-25-26-30-28)24-22-20-18-16-14-12-10-8-6-4-2;/h29H,3-27H2,1-2H3;1H
InChIKeyXJXYRZMQXAKIKR-UHFFFAOYSA-N
XLogP9.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.78
LogP ≤ 59.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-(2-dodecylmorpholin-2-yl)ethanol;hydrobromide
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2-methyl-2-[16-(2-methylmorpholin-2-yl)hexadecyl]morpholine
CID 142640587
2-hexadecyl-2-tetradecyloxirane
CID 71421731
1-(2-pentylmorpholin-2-yl)propan-1-amine
CID 174330339
acetic acid;2,2-diethylmorpholine
CID 70348686
2-hexyl-2-propyloxirane
CID 139691135
1-(2-octadecan-2-ylmorpholin-2-yl)ethanamine
CID 174791741
2-heptyl-2-octyl-1,3-dioxolane
CID 89440490
2-dodecyl-2-heptyl-1,3-dioxolane
CID 89440443

Frequently Asked Questions

What is the IUPAC name of 2,2-didodecylmorpholine;hydrofluoride?
The IUPAC name of 2,2-didodecylmorpholine;hydrofluoride (CID 173000581) is 2,2-didodecylmorpholine;hydrofluoride.
What is the SMILES notation for 2,2-didodecylmorpholine;hydrofluoride?
The canonical SMILES for 2,2-didodecylmorpholine;hydrofluoride is CCCCCCCCCCCCC1(CCCCCCCCCCCC)CNCCO1.F.
What is the InChIKey of 2,2-didodecylmorpholine;hydrofluoride?
The InChIKey is XJXYRZMQXAKIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H57NO.FH/c1-3-5-7-9-11-13-15-17-19-21-23-28(27-29-25-26-30-28)24-22-20-18-16-14-12-10-8-6-4-2;/h29H,3-27H2,1-2H3;1H.
What are the key properties of 2,2-didodecylmorpholine;hydrofluoride?
2,2-didodecylmorpholine;hydrofluoride has a molecular weight of 443.78 g/mol, XLogP of 9.12, 22 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-didodecylmorpholine;hydrofluoride is sourced from PubChem (CID 173000581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).