1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfonamide

C4H4F8N2O4S2 — CID 11631855

IUPAC1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfonamide
SMILESNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(N)(=O)=O
InChIInChI=1S/C4H4F8N2O4S2/c5-1(6,3(9,10)19(13,15)16)2(7,8)4(11,12)20(14,17)18/h(H2,13,15,16)(H2,14,17,18)
InChIKeyPAKRUAYDOWBCTC-UHFFFAOYSA-N
MW360.20 g/mol
LogP0.02
Rot. Bonds5

About 1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfonamide

1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfonamide (PubChem CID 11631855) has the molecular formula C4H4F8N2O4S2 and a molecular weight of 360.20 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfonamide
PubChem CID11631855
Molecular FormulaC4H4F8N2O4S2
Molecular Weight360.20 g/mol
Exact Mass359.95
IUPAC Name1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfonamide
SMILESNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(N)(=O)=O
InChIInChI=1S/C4H4F8N2O4S2/c5-1(6,3(9,10)19(13,15)16)2(7,8)4(11,12)20(14,17)18/h(H2,13,15,16)(H2,14,17,18)
InChIKeyPAKRUAYDOWBCTC-UHFFFAOYSA-N
XLogP0.02
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,2,2,3,3,4,4,4-Nonafluoro-N-((1,1,2,2,3,3,4,4,4-nonafluorobutyl)sulfonyl)-1-butanesulfonamide
CID 10211210
Ethanesulfonamide, 1,1,2,2,2-pentafluoro-N-[(pentafluoroethyl)sulfonyl]-
CID 2779028
Bis(1,1,2,2,3,3,3-heptafluoro-1-propanesulfonyl)imide
CID 12167909
Nonafluorobutylsulfonyl(trifluoromethylsulfonyl)amine
CID 11048287
Ammonium N,N-bis(perfluorobutanesulfonyl)amide
CID 11180926
Perfluoro-N-[(trifluoromethyl)sulfonyl]butanesulfonamide sodium salt
CID 138396263
1,1,2,2,3,3,3-heptafluoro-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
CID 59703058
Lithium bis(1,1,2,2,3,3,3-heptafluoro-1-propanesulfonyl)imide
CID 87691590
1,1,2,2,3,3,4,4,5,5,5-Undecafluoro-N-((perfluoropentyl)sulfonyl)pentane-1-sulfonamide
CID 88203921
1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(trifluoromethylsulfonyl)hexane-1-sulfonamide
CID 13926688
Nonafluorobutanesulfonamide ammonia salt
CID 142748832
Azane;(1,1,2,2,3,3,4,4,4-nonafluorobutyl-oxo-oxoniumylidene-lambda6-sulfanyl)azanide
CID 170852078

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfonamide?
The IUPAC name of 1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfonamide (CID 11631855) is 1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfonamide.
What is the SMILES notation for 1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfonamide?
The canonical SMILES for 1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfonamide is NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(N)(=O)=O.
What is the InChIKey of 1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfonamide?
The InChIKey is PAKRUAYDOWBCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F8N2O4S2/c5-1(6,3(9,10)19(13,15)16)2(7,8)4(11,12)20(14,17)18/h(H2,13,15,16)(H2,14,17,18).
What are the key properties of 1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfonamide?
1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfonamide has a molecular weight of 360.20 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 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-octafluorobutane-1,4-disulfonamide is sourced from PubChem (CID 11631855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).