4-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]morpholine

C11H15F8NO2 — CID 59012971

IUPAC4-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]morpholine
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)COCCN1CCOCC1
InChIInChI=1S/C11H15F8NO2/c12-8(13)10(16,17)11(18,19)9(14,15)7-22-6-3-20-1-4-21-5-2-20/h8H,1-7H2
InChIKeyGJPWNVCXJKYCQP-UHFFFAOYSA-N
MW345.23 g/mol
LogP2.51
Rot. Bonds8

About 4-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]morpholine

4-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]morpholine (PubChem CID 59012971) has the molecular formula C11H15F8NO2 and a molecular weight of 345.23 g/mol. Its IUPAC name is 4-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]morpholine
PubChem CID59012971
Molecular FormulaC11H15F8NO2
Molecular Weight345.23 g/mol
Exact Mass345.10
IUPAC Name4-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]morpholine
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)COCCN1CCOCC1
InChIInChI=1S/C11H15F8NO2/c12-8(13)10(16,17)11(18,19)9(14,15)7-22-6-3-20-1-4-21-5-2-20/h8H,1-7H2
InChIKeyGJPWNVCXJKYCQP-UHFFFAOYSA-N
XLogP2.51
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]morpholine?
The IUPAC name of 4-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]morpholine (CID 59012971) is 4-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]morpholine.
What is the SMILES notation for 4-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]morpholine?
The canonical SMILES for 4-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]morpholine is FC(F)C(F)(F)C(F)(F)C(F)(F)COCCN1CCOCC1.
What is the InChIKey of 4-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]morpholine?
The InChIKey is GJPWNVCXJKYCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F8NO2/c12-8(13)10(16,17)11(18,19)9(14,15)7-22-6-3-20-1-4-21-5-2-20/h8H,1-7H2.
What are the key properties of 4-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]morpholine?
4-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]morpholine has a molecular weight of 345.23 g/mol, XLogP of 2.51, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]morpholine is sourced from PubChem (CID 59012971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).