4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-4-ium

C17H32F4NO6+ — CID 168743915

IUPAC4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-4-ium
SMILESCOCCOCCOCCOC(COCC(F)(F)C(F)F)C[NH+]1CCOCC1
InChIInChI=1S/C17H31F4NO6/c1-23-6-7-25-8-9-26-10-11-28-15(12-22-2-4-24-5-3-22)13-27-14-17(20,21)16(18)19/h15-16H,2-14H2,1H3/p+1
InChIKeyJDVUSVMWKPWXAO-UHFFFAOYSA-O
MW422.44 g/mol
LogP-0.12
Rot. Bonds17

About 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-4-ium

4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-4-ium (PubChem CID 168743915) has the molecular formula C17H32F4NO6+ and a molecular weight of 422.44 g/mol. Its IUPAC name is 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-4-ium.

Molecular Properties

Compound Name4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-4-ium
PubChem CID168743915
Molecular FormulaC17H32F4NO6+
Molecular Weight422.44 g/mol
Exact Mass422.22
IUPAC Name4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-4-ium
SMILESCOCCOCCOCCOC(COCC(F)(F)C(F)F)C[NH+]1CCOCC1
InChIInChI=1S/C17H31F4NO6/c1-23-6-7-25-8-9-26-10-11-28-15(12-22-2-4-24-5-3-22)13-27-14-17(20,21)16(18)19/h15-16H,2-14H2,1H3/p+1
InChIKeyJDVUSVMWKPWXAO-UHFFFAOYSA-O
XLogP-0.12
TPSA59.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-4-ium?
The IUPAC name of 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-4-ium (CID 168743915) is 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-4-ium.
What is the SMILES notation for 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-4-ium?
The canonical SMILES for 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-4-ium is COCCOCCOCCOC(COCC(F)(F)C(F)F)C[NH+]1CCOCC1.
What is the InChIKey of 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-4-ium?
The InChIKey is JDVUSVMWKPWXAO-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H31F4NO6/c1-23-6-7-25-8-9-26-10-11-28-15(12-22-2-4-24-5-3-22)13-27-14-17(20,21)16(18)19/h15-16H,2-14H2,1H3/p+1.
What are the key properties of 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-4-ium?
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-4-ium has a molecular weight of 422.44 g/mol, XLogP of -0.12, 17 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-4-ium is sourced from PubChem (CID 168743915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).