2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,7-undecafluoroheptanoate

C13H14F11NO3 — CID 58855424

IUPAC2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,7-undecafluoroheptanoate
SMILESO=C(OCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)F
InChIInChI=1S/C13H14F11NO3/c14-9(15,7-10(16,17)18)12(21,22)13(23,24)11(19,20)8(26)28-6-3-25-1-4-27-5-2-25/h1-7H2
InChIKeyLJGXXDAOCREWEQ-UHFFFAOYSA-N
MW441.24 g/mol
LogP3.36
Rot. Bonds8

About 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,7-undecafluoroheptanoate

2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,7-undecafluoroheptanoate (PubChem CID 58855424) has the molecular formula C13H14F11NO3 and a molecular weight of 441.24 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,7-undecafluoroheptanoate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,7-undecafluoroheptanoate
PubChem CID58855424
Molecular FormulaC13H14F11NO3
Molecular Weight441.24 g/mol
Exact Mass441.08
IUPAC Name2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,7-undecafluoroheptanoate
SMILESO=C(OCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)F
InChIInChI=1S/C13H14F11NO3/c14-9(15,7-10(16,17)18)12(21,22)13(23,24)11(19,20)8(26)28-6-3-25-1-4-27-5-2-25/h1-7H2
InChIKeyLJGXXDAOCREWEQ-UHFFFAOYSA-N
XLogP3.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.24
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,7-undecafluoroheptanoate?
The IUPAC name of 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,7-undecafluoroheptanoate (CID 58855424) is 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,7-undecafluoroheptanoate.
What is the SMILES notation for 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,7-undecafluoroheptanoate?
The canonical SMILES for 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,7-undecafluoroheptanoate is O=C(OCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)F.
What is the InChIKey of 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,7-undecafluoroheptanoate?
The InChIKey is LJGXXDAOCREWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F11NO3/c14-9(15,7-10(16,17)18)12(21,22)13(23,24)11(19,20)8(26)28-6-3-25-1-4-27-5-2-25/h1-7H2.
What are the key properties of 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,7-undecafluoroheptanoate?
2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,7-undecafluoroheptanoate has a molecular weight of 441.24 g/mol, XLogP of 3.36, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 2,2,3,3,4,4,5,5,7,7,7-undecafluoroheptanoate is sourced from PubChem (CID 58855424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).