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

C17H31F4NO6 — CID 162771703

IUPAC4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholine
SMILESCOCCOCCOCCOC(COCC(F)(F)C(F)F)CN1CCOCC1
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
InChIKeyJDVUSVMWKPWXAO-UHFFFAOYSA-N
MW421.43 g/mol
LogP1.30
Rot. Bonds17

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

4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholine (PubChem CID 162771703) has the molecular formula C17H31F4NO6 and a molecular weight of 421.43 g/mol. Its IUPAC name is 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholine.

Molecular Properties

Compound Name4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholine
PubChem CID162771703
Molecular FormulaC17H31F4NO6
Molecular Weight421.43 g/mol
Exact Mass421.21
IUPAC Name4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholine
SMILESCOCCOCCOCCOC(COCC(F)(F)C(F)F)CN1CCOCC1
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
InChIKeyJDVUSVMWKPWXAO-UHFFFAOYSA-N
XLogP1.30
TPSA58.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.43
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-[1,1,2-trifluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]butan-1-amine
CID 15414994
N-methyl-N-[2-hydroxy-6,6,7,7-tetrafluoro-4-oxa-heptyl]morpholinium iodide
CID 129761950
1-(Morpholin-4-yl)-6,8,8,9,11,11,12,12,13,13,13-undecafluoro-6,9-bis(trifluoromethyl)-4,7,10-trioxa-tridecanol-2
CID 129761960
1,1,1-Trifluoro-3-[2-(methoxymethyl)-6-methylmorpholin-4-yl]propan-2-ol
CID 121516307
4-[1,1,2,2,3,3-Hexafluoro-3-(2-methoxyethoxy)propyl]morpholine
CID 18725572
4-(1,1,2,2,3,3-Hexafluoro-3-methoxypropyl)-2,6-dimethylmorpholine
CID 18725573
4-(1,1,2,2,3,3-Hexafluoro-3-methoxypropyl)morpholine
CID 18725574
2-Fluoro-4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-6-methylmorpholine
CID 23550516
2,6-Dimethyl-4-(1,1,2,2,3-pentafluoropropyl)morpholine;fluoromethane
CID 54007115
[1-Morpholin-4-yl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl] acetate
CID 58855433
1-Morpholin-4-yl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 58855446
4-[2-(1,1,1-Trifluoropropan-2-yloxy)ethyl]morpholine
CID 59012974

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholine?
The IUPAC name of 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholine (CID 162771703) is 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholine.
What is the SMILES notation for 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholine?
The canonical SMILES for 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholine is COCCOCCOCCOC(COCC(F)(F)C(F)F)CN1CCOCC1.
What is the InChIKey of 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholine?
The InChIKey is JDVUSVMWKPWXAO-UHFFFAOYSA-N. 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.
What are the key properties of 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholine?
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholine has a molecular weight of 421.43 g/mol, XLogP of 1.30, 17 rotatable bonds, 0 hydrogen bond donors, and 7 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]morpholine is sourced from PubChem (CID 162771703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).