N-(2,2-dimethoxyethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide

C8H10F9NO4S — CID 175369371

IUPACN-(2,2-dimethoxyethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
SMILESCOC(CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC
InChIInChI=1S/C8H10F9NO4S/c1-21-4(22-2)3-18-23(19,20)8(16,17)6(11,12)5(9,10)7(13,14)15/h4,18H,3H2,1-2H3
InChIKeyUWEFJXGOJDRBAC-UHFFFAOYSA-N
MW387.22 g/mol
LogP1.95
Rot. Bonds8

About N-(2,2-dimethoxyethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide

N-(2,2-dimethoxyethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide (PubChem CID 175369371) has the molecular formula C8H10F9NO4S and a molecular weight of 387.22 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
PubChem CID175369371
Molecular FormulaC8H10F9NO4S
Molecular Weight387.22 g/mol
Exact Mass387.02
IUPAC NameN-(2,2-dimethoxyethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
SMILESCOC(CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC
InChIInChI=1S/C8H10F9NO4S/c1-21-4(22-2)3-18-23(19,20)8(16,17)6(11,12)5(9,10)7(13,14)15/h4,18H,3H2,1-2H3
InChIKeyUWEFJXGOJDRBAC-UHFFFAOYSA-N
XLogP1.95
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.22
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide (CID 175369371) is N-(2,2-dimethoxyethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide is COC(CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The InChIKey is UWEFJXGOJDRBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F9NO4S/c1-21-4(22-2)3-18-23(19,20)8(16,17)6(11,12)5(9,10)7(13,14)15/h4,18H,3H2,1-2H3.
What are the key properties of N-(2,2-dimethoxyethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
N-(2,2-dimethoxyethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide has a molecular weight of 387.22 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide is sourced from PubChem (CID 175369371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).