2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)hexanamide

C12H13F11N2O2 — CID 58855377

IUPAC2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)hexanamide
SMILESO=C(NCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H13F11N2O2/c13-8(14,7(26)24-1-2-25-3-5-27-6-4-25)9(15,16)10(17,18)11(19,20)12(21,22)23/h1-6H2,(H,24,26)
InChIKeyCEMHJSITIKHEMI-UHFFFAOYSA-N
MW426.23 g/mol
LogP2.54
Rot. Bonds7

About 2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)hexanamide

2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)hexanamide (PubChem CID 58855377) has the molecular formula C12H13F11N2O2 and a molecular weight of 426.23 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)hexanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)hexanamide
PubChem CID58855377
Molecular FormulaC12H13F11N2O2
Molecular Weight426.23 g/mol
Exact Mass426.08
IUPAC Name2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)hexanamide
SMILESO=C(NCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H13F11N2O2/c13-8(14,7(26)24-1-2-25-3-5-27-6-4-25)9(15,16)10(17,18)11(19,20)12(21,22)23/h1-6H2,(H,24,26)
InChIKeyCEMHJSITIKHEMI-UHFFFAOYSA-N
XLogP2.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.23
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)hexanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)hexanamide (CID 58855377) is 2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)hexanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)hexanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)hexanamide is O=C(NCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)hexanamide?
The InChIKey is CEMHJSITIKHEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F11N2O2/c13-8(14,7(26)24-1-2-25-3-5-27-6-4-25)9(15,16)10(17,18)11(19,20)12(21,22)23/h1-6H2,(H,24,26).
What are the key properties of 2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)hexanamide?
2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)hexanamide has a molecular weight of 426.23 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)hexanamide is sourced from PubChem (CID 58855377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).