1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide

C13H13F11N2O2 — CID 3290804

IUPAC1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
SMILESO=C(NCCN1CCOCC1)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C13H13F11N2O2/c14-8(7(27)25-1-2-26-3-5-28-6-4-26)9(15,16)11(19,20)13(23,24)12(21,22)10(8,17)18/h1-6H2,(H,25,27)
InChIKeyIUISPYWDISVKKT-UHFFFAOYSA-N
MW438.24 g/mol
LogP2.33
Rot. Bonds4

About 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide

1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide (PubChem CID 3290804) has the molecular formula C13H13F11N2O2 and a molecular weight of 438.24 g/mol. Its IUPAC name is 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
PubChem CID3290804
Molecular FormulaC13H13F11N2O2
Molecular Weight438.24 g/mol
Exact Mass438.08
IUPAC Name1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
SMILESO=C(NCCN1CCOCC1)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C13H13F11N2O2/c14-8(7(27)25-1-2-26-3-5-28-6-4-26)9(15,16)11(19,20)13(23,24)12(21,22)10(8,17)18/h1-6H2,(H,25,27)
InChIKeyIUISPYWDISVKKT-UHFFFAOYSA-N
XLogP2.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.24
LogP ≤ 52.33
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 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide (CID 3290804) is 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide is O=C(NCCN1CCOCC1)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide?
The InChIKey is IUISPYWDISVKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F11N2O2/c14-8(7(27)25-1-2-26-3-5-28-6-4-26)9(15,16)11(19,20)13(23,24)12(21,22)10(8,17)18/h1-6H2,(H,25,27).
What are the key properties of 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide?
1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide has a molecular weight of 438.24 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 3290804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).