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

C10H13F9N2O3S — CID 58855402

IUPAC1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-morpholin-4-ylethyl)butane-1-sulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H13F9N2O3S/c11-7(12,9(15,16)17)8(13,14)10(18,19)25(22,23)20-1-2-21-3-5-24-6-4-21/h20H,1-6H2
InChIKeyXDDMTQNVSHIVDG-UHFFFAOYSA-N
MW412.27 g/mol
LogP1.66
Rot. Bonds7

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

1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-morpholin-4-ylethyl)butane-1-sulfonamide (PubChem CID 58855402) has the molecular formula C10H13F9N2O3S and a molecular weight of 412.27 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-morpholin-4-ylethyl)butane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-morpholin-4-ylethyl)butane-1-sulfonamide
PubChem CID58855402
Molecular FormulaC10H13F9N2O3S
Molecular Weight412.27 g/mol
Exact Mass412.05
IUPAC Name1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-morpholin-4-ylethyl)butane-1-sulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H13F9N2O3S/c11-7(12,9(15,16)17)8(13,14)10(18,19)25(22,23)20-1-2-21-3-5-24-6-4-21/h20H,1-6H2
InChIKeyXDDMTQNVSHIVDG-UHFFFAOYSA-N
XLogP1.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.27
LogP ≤ 51.66
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 1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-morpholin-4-ylethyl)butane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-morpholin-4-ylethyl)butane-1-sulfonamide (CID 58855402) is 1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-morpholin-4-ylethyl)butane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-morpholin-4-ylethyl)butane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-morpholin-4-ylethyl)butane-1-sulfonamide is O=S(=O)(NCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-morpholin-4-ylethyl)butane-1-sulfonamide?
The InChIKey is XDDMTQNVSHIVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F9N2O3S/c11-7(12,9(15,16)17)8(13,14)10(18,19)25(22,23)20-1-2-21-3-5-24-6-4-21/h20H,1-6H2.
What are the key properties of 1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-morpholin-4-ylethyl)butane-1-sulfonamide?
1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-morpholin-4-ylethyl)butane-1-sulfonamide has a molecular weight of 412.27 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-morpholin-4-ylethyl)butane-1-sulfonamide is sourced from PubChem (CID 58855402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).