4-[3-ethoxy-1,1,2,2,4,4,4-heptafluoro-3-(trifluoromethyl)butyl]morpholine

C11H13F10NO2 — CID 156806392

IUPAC4-[3-ethoxy-1,1,2,2,4,4,4-heptafluoro-3-(trifluoromethyl)butyl]morpholine
SMILESCCOC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)N1CCOCC1
InChIInChI=1S/C11H13F10NO2/c1-2-24-7(9(14,15)16,10(17,18)19)8(12,13)11(20,21)22-3-5-23-6-4-22/h2-6H2,1H3
InChIKeyBFPCIINHOFFMAZ-UHFFFAOYSA-N
MW381.21 g/mol
LogP3.45
Rot. Bonds5

About 4-[3-ethoxy-1,1,2,2,4,4,4-heptafluoro-3-(trifluoromethyl)butyl]morpholine

4-[3-ethoxy-1,1,2,2,4,4,4-heptafluoro-3-(trifluoromethyl)butyl]morpholine (PubChem CID 156806392) has the molecular formula C11H13F10NO2 and a molecular weight of 381.21 g/mol. Its IUPAC name is 4-[3-ethoxy-1,1,2,2,4,4,4-heptafluoro-3-(trifluoromethyl)butyl]morpholine.

Molecular Properties

Compound Name4-[3-ethoxy-1,1,2,2,4,4,4-heptafluoro-3-(trifluoromethyl)butyl]morpholine
PubChem CID156806392
Molecular FormulaC11H13F10NO2
Molecular Weight381.21 g/mol
Exact Mass381.08
IUPAC Name4-[3-ethoxy-1,1,2,2,4,4,4-heptafluoro-3-(trifluoromethyl)butyl]morpholine
SMILESCCOC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)N1CCOCC1
InChIInChI=1S/C11H13F10NO2/c1-2-24-7(9(14,15)16,10(17,18)19)8(12,13)11(20,21)22-3-5-23-6-4-22/h2-6H2,1H3
InChIKeyBFPCIINHOFFMAZ-UHFFFAOYSA-N
XLogP3.45
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.21
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-fluoropiperidine
CID 18725559
4-[1,1,2,2,3,3,4,4-octafluoro-4-(1,1,2,3,3-pentafluoroprop-2-enoxy)butyl]morpholine
CID 138750246
1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-methylpiperidine;4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-2,6-dimethylmorpholine
CID 54393529
4-(3-ethoxy-3-methylbutyl)morpholine
CID 167018299
ethyl 2-methyl-2-morpholin-4-ylpropanoate
CID 13022015
2-morpholin-4-ylpropane-2-thiol
CID 139318537
4-(2,3,3,4-tetrafluorobutan-2-yl)morpholine
CID 90955605
1,1,1-trifluoro-5-methyl-5-morpholin-4-ylheptan-4-ol
CID 79065246
1-[ethoxy(difluoro)methyl]piperidine
CID 18721519
methylcyclopentane;1,1,2,2-tetrafluoro-2-morpholin-4-ylethanolate
CID 54333395
1-ethoxy-N-ethyl-3-methyl-3-morpholin-4-ylbutan-2-amine
CID 79575615
4-[(E)-2-ethoxy-1,3,3,3-tetrafluoroprop-1-enyl]morpholine
CID 145002198

Frequently Asked Questions

What is the IUPAC name of 4-[3-ethoxy-1,1,2,2,4,4,4-heptafluoro-3-(trifluoromethyl)butyl]morpholine?
The IUPAC name of 4-[3-ethoxy-1,1,2,2,4,4,4-heptafluoro-3-(trifluoromethyl)butyl]morpholine (CID 156806392) is 4-[3-ethoxy-1,1,2,2,4,4,4-heptafluoro-3-(trifluoromethyl)butyl]morpholine.
What is the SMILES notation for 4-[3-ethoxy-1,1,2,2,4,4,4-heptafluoro-3-(trifluoromethyl)butyl]morpholine?
The canonical SMILES for 4-[3-ethoxy-1,1,2,2,4,4,4-heptafluoro-3-(trifluoromethyl)butyl]morpholine is CCOC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)N1CCOCC1.
What is the InChIKey of 4-[3-ethoxy-1,1,2,2,4,4,4-heptafluoro-3-(trifluoromethyl)butyl]morpholine?
The InChIKey is BFPCIINHOFFMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F10NO2/c1-2-24-7(9(14,15)16,10(17,18)19)8(12,13)11(20,21)22-3-5-23-6-4-22/h2-6H2,1H3.
What are the key properties of 4-[3-ethoxy-1,1,2,2,4,4,4-heptafluoro-3-(trifluoromethyl)butyl]morpholine?
4-[3-ethoxy-1,1,2,2,4,4,4-heptafluoro-3-(trifluoromethyl)butyl]morpholine has a molecular weight of 381.21 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-ethoxy-1,1,2,2,4,4,4-heptafluoro-3-(trifluoromethyl)butyl]morpholine is sourced from PubChem (CID 156806392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).