2,2,3,4,5,5-hexafluoro-4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)morpholin-4-ium

C8H6F12NO2+ — CID 20576768

IUPAC2,2,3,4,5,5-hexafluoro-4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)morpholin-4-ium
SMILESCOC(F)(F)C(F)(F)C(F)(F)[N+]1(F)C(F)C(F)(F)OCC1(F)F
InChIInChI=1S/C8H6F12NO2/c1-22-8(18,19)6(14,15)7(16,17)21(20)3(9)5(12,13)23-2-4(21,10)11/h3H,2H2,1H3/q+1
InChIKeyQSDALUHISPVSGB-UHFFFAOYSA-N
MW376.12 g/mol
LogP3.67
Rot. Bonds4

About 2,2,3,4,5,5-hexafluoro-4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)morpholin-4-ium

2,2,3,4,5,5-hexafluoro-4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)morpholin-4-ium (PubChem CID 20576768) has the molecular formula C8H6F12NO2+ and a molecular weight of 376.12 g/mol. Its IUPAC name is 2,2,3,4,5,5-hexafluoro-4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)morpholin-4-ium.

Molecular Properties

Compound Name2,2,3,4,5,5-hexafluoro-4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)morpholin-4-ium
PubChem CID20576768
Molecular FormulaC8H6F12NO2+
Molecular Weight376.12 g/mol
Exact Mass376.02
IUPAC Name2,2,3,4,5,5-hexafluoro-4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)morpholin-4-ium
SMILESCOC(F)(F)C(F)(F)C(F)(F)[N+]1(F)C(F)C(F)(F)OCC1(F)F
InChIInChI=1S/C8H6F12NO2/c1-22-8(18,19)6(14,15)7(16,17)21(20)3(9)5(12,13)23-2-4(21,10)11/h3H,2H2,1H3/q+1
InChIKeyQSDALUHISPVSGB-UHFFFAOYSA-N
XLogP3.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.12
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,4,5,5-hexafluoro-4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)morpholin-4-ium?
The IUPAC name of 2,2,3,4,5,5-hexafluoro-4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)morpholin-4-ium (CID 20576768) is 2,2,3,4,5,5-hexafluoro-4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)morpholin-4-ium.
What is the SMILES notation for 2,2,3,4,5,5-hexafluoro-4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)morpholin-4-ium?
The canonical SMILES for 2,2,3,4,5,5-hexafluoro-4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)morpholin-4-ium is COC(F)(F)C(F)(F)C(F)(F)[N+]1(F)C(F)C(F)(F)OCC1(F)F.
What is the InChIKey of 2,2,3,4,5,5-hexafluoro-4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)morpholin-4-ium?
The InChIKey is QSDALUHISPVSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F12NO2/c1-22-8(18,19)6(14,15)7(16,17)21(20)3(9)5(12,13)23-2-4(21,10)11/h3H,2H2,1H3/q+1.
What are the key properties of 2,2,3,4,5,5-hexafluoro-4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)morpholin-4-ium?
2,2,3,4,5,5-hexafluoro-4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)morpholin-4-ium has a molecular weight of 376.12 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4,5,5-hexafluoro-4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)morpholin-4-ium is sourced from PubChem (CID 20576768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).