1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide

C11H13F11N2O3S — CID 58855366

IUPAC1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H13F11N2O3S/c12-7(13,8(14,15)10(18,19)20)9(16,17)11(21,22)28(25,26)23-1-2-24-3-5-27-6-4-24/h23H,1-6H2
InChIKeyYXLISSFENJYJDF-UHFFFAOYSA-N
MW462.28 g/mol
LogP2.30
Rot. Bonds8

About 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide

1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide (PubChem CID 58855366) has the molecular formula C11H13F11N2O3S and a molecular weight of 462.28 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide
PubChem CID58855366
Molecular FormulaC11H13F11N2O3S
Molecular Weight462.28 g/mol
Exact Mass462.05
IUPAC Name1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H13F11N2O3S/c12-7(13,8(14,15)10(18,19)20)9(16,17)11(21,22)28(25,26)23-1-2-24-3-5-27-6-4-24/h23H,1-6H2
InChIKeyYXLISSFENJYJDF-UHFFFAOYSA-N
XLogP2.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
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 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide (CID 58855366) is 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide is O=S(=O)(NCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide?
The InChIKey is YXLISSFENJYJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F11N2O3S/c12-7(13,8(14,15)10(18,19)20)9(16,17)11(21,22)28(25,26)23-1-2-24-3-5-27-6-4-24/h23H,1-6H2.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide?
1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide has a molecular weight of 462.28 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide is sourced from PubChem (CID 58855366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).