1,1,2,2,3,3,4,4-octafluoro-N-methyl-N-(2-morpholin-4-ylethyl)butane-1-sulfonamide

C11H16F8N2O3S — CID 58855474

IUPAC1,1,2,2,3,3,4,4-octafluoro-N-methyl-N-(2-morpholin-4-ylethyl)butane-1-sulfonamide
SMILESCN(CCN1CCOCC1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C11H16F8N2O3S/c1-20(2-3-21-4-6-24-7-5-21)25(22,23)11(18,19)10(16,17)9(14,15)8(12)13/h8H,2-7H2,1H3
InChIKeyLZAXCIWTAFJBCS-UHFFFAOYSA-N
MW408.31 g/mol
LogP1.71
Rot. Bonds8

About 1,1,2,2,3,3,4,4-octafluoro-N-methyl-N-(2-morpholin-4-ylethyl)butane-1-sulfonamide

1,1,2,2,3,3,4,4-octafluoro-N-methyl-N-(2-morpholin-4-ylethyl)butane-1-sulfonamide (PubChem CID 58855474) has the molecular formula C11H16F8N2O3S and a molecular weight of 408.31 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4-octafluoro-N-methyl-N-(2-morpholin-4-ylethyl)butane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4-octafluoro-N-methyl-N-(2-morpholin-4-ylethyl)butane-1-sulfonamide
PubChem CID58855474
Molecular FormulaC11H16F8N2O3S
Molecular Weight408.31 g/mol
Exact Mass408.08
IUPAC Name1,1,2,2,3,3,4,4-octafluoro-N-methyl-N-(2-morpholin-4-ylethyl)butane-1-sulfonamide
SMILESCN(CCN1CCOCC1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C11H16F8N2O3S/c1-20(2-3-21-4-6-24-7-5-21)25(22,23)11(18,19)10(16,17)9(14,15)8(12)13/h8H,2-7H2,1H3
InChIKeyLZAXCIWTAFJBCS-UHFFFAOYSA-N
XLogP1.71
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.31
LogP ≤ 51.71
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 1,1,2,2,3,3,4,4-octafluoro-N-methyl-N-(2-morpholin-4-ylethyl)butane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-N-methyl-N-(2-morpholin-4-ylethyl)butane-1-sulfonamide (CID 58855474) is 1,1,2,2,3,3,4,4-octafluoro-N-methyl-N-(2-morpholin-4-ylethyl)butane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3,3,4,4-octafluoro-N-methyl-N-(2-morpholin-4-ylethyl)butane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3,3,4,4-octafluoro-N-methyl-N-(2-morpholin-4-ylethyl)butane-1-sulfonamide is CN(CCN1CCOCC1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4-octafluoro-N-methyl-N-(2-morpholin-4-ylethyl)butane-1-sulfonamide?
The InChIKey is LZAXCIWTAFJBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F8N2O3S/c1-20(2-3-21-4-6-24-7-5-21)25(22,23)11(18,19)10(16,17)9(14,15)8(12)13/h8H,2-7H2,1H3.
What are the key properties of 1,1,2,2,3,3,4,4-octafluoro-N-methyl-N-(2-morpholin-4-ylethyl)butane-1-sulfonamide?
1,1,2,2,3,3,4,4-octafluoro-N-methyl-N-(2-morpholin-4-ylethyl)butane-1-sulfonamide has a molecular weight of 408.31 g/mol, XLogP of 1.71, 8 rotatable bonds, 0 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-octafluoro-N-methyl-N-(2-morpholin-4-ylethyl)butane-1-sulfonamide is sourced from PubChem (CID 58855474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).