1,1,2,2,3,3,4,4,6,6-decafluoro-N-(2-morpholin-4-ylethyl)hexane-1-sulfonamide

C12H16F10N2O3S — CID 58855458

IUPAC1,1,2,2,3,3,4,4,6,6-decafluoro-N-(2-morpholin-4-ylethyl)hexane-1-sulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)F
InChIInChI=1S/C12H16F10N2O3S/c13-8(14)7-9(15,16)10(17,18)11(19,20)12(21,22)28(25,26)23-1-2-24-3-5-27-6-4-24/h8,23H,1-7H2
InChIKeyOWKWATULUWMTNP-UHFFFAOYSA-N
MW458.32 g/mol
LogP2.39
Rot. Bonds10

About 1,1,2,2,3,3,4,4,6,6-decafluoro-N-(2-morpholin-4-ylethyl)hexane-1-sulfonamide

1,1,2,2,3,3,4,4,6,6-decafluoro-N-(2-morpholin-4-ylethyl)hexane-1-sulfonamide (PubChem CID 58855458) has the molecular formula C12H16F10N2O3S and a molecular weight of 458.32 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,6,6-decafluoro-N-(2-morpholin-4-ylethyl)hexane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,6,6-decafluoro-N-(2-morpholin-4-ylethyl)hexane-1-sulfonamide
PubChem CID58855458
Molecular FormulaC12H16F10N2O3S
Molecular Weight458.32 g/mol
Exact Mass458.07
IUPAC Name1,1,2,2,3,3,4,4,6,6-decafluoro-N-(2-morpholin-4-ylethyl)hexane-1-sulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)F
InChIInChI=1S/C12H16F10N2O3S/c13-8(14)7-9(15,16)10(17,18)11(19,20)12(21,22)28(25,26)23-1-2-24-3-5-27-6-4-24/h8,23H,1-7H2
InChIKeyOWKWATULUWMTNP-UHFFFAOYSA-N
XLogP2.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.32
LogP ≤ 52.39
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 1,1,2,2,3,3,4,4,6,6-decafluoro-N-(2-morpholin-4-ylethyl)hexane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3,3,4,4,6,6-decafluoro-N-(2-morpholin-4-ylethyl)hexane-1-sulfonamide (CID 58855458) is 1,1,2,2,3,3,4,4,6,6-decafluoro-N-(2-morpholin-4-ylethyl)hexane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3,3,4,4,6,6-decafluoro-N-(2-morpholin-4-ylethyl)hexane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3,3,4,4,6,6-decafluoro-N-(2-morpholin-4-ylethyl)hexane-1-sulfonamide is O=S(=O)(NCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,6,6-decafluoro-N-(2-morpholin-4-ylethyl)hexane-1-sulfonamide?
The InChIKey is OWKWATULUWMTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F10N2O3S/c13-8(14)7-9(15,16)10(17,18)11(19,20)12(21,22)28(25,26)23-1-2-24-3-5-27-6-4-24/h8,23H,1-7H2.
What are the key properties of 1,1,2,2,3,3,4,4,6,6-decafluoro-N-(2-morpholin-4-ylethyl)hexane-1-sulfonamide?
1,1,2,2,3,3,4,4,6,6-decafluoro-N-(2-morpholin-4-ylethyl)hexane-1-sulfonamide has a molecular weight of 458.32 g/mol, XLogP of 2.39, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,6,6-decafluoro-N-(2-morpholin-4-ylethyl)hexane-1-sulfonamide is sourced from PubChem (CID 58855458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).