(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide

C7F16NO6S3- — CID 58852812

IUPAC(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide
SMILESO=S(=O)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7F16NO6S3/c8-1(9,4(14,15)16)2(10,11)6(19,20)32(27,28)24-33(29,30)7(21,22)3(12,13)5(17,18)31(23,25)26/q-1
InChIKeyFCIHJFJFRKMNAZ-UHFFFAOYSA-N
MW594.25 g/mol
LogP3.57
Rot. Bonds9

About (1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide

(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide (PubChem CID 58852812) has the molecular formula C7F16NO6S3- and a molecular weight of 594.25 g/mol. Its IUPAC name is (1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide.

Molecular Properties

Compound Name(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide
PubChem CID58852812
Molecular FormulaC7F16NO6S3-
Molecular Weight594.25 g/mol
Exact Mass593.86
IUPAC Name(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide
SMILESO=S(=O)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7F16NO6S3/c8-1(9,4(14,15)16)2(10,11)6(19,20)32(27,28)24-33(29,30)7(21,22)3(12,13)5(17,18)31(23,25)26/q-1
InChIKeyFCIHJFJFRKMNAZ-UHFFFAOYSA-N
XLogP3.57
TPSA116.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500594.25
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Potassium bis(nonafluorobutanesulfonyl)imide
CID 11319533
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
Ethanesulfonamide, 1,1,2,2,2-pentafluoro-N-((1,1,2,2,2-pentafluoroethyl)sulfonyl)-, lithium salt (1:1)
CID 12096715
Lithium Bis(1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonyl)imide
CID 14876273
Bis(1,1,2,2,3,3,3-heptafluoro-1-propanesulfonyl)imide
CID 12167909
Octafluorobutane-1,4-disulfonamide
CID 11631855
Nonafluorobutylsulfonyl(trifluoromethylsulfonyl)amine
CID 11048287
Perfluoro-N-[(trifluoromethyl)sulfonyl]butanesulfonamide sodium salt
CID 138396263
Bis(perfluoroethylsulfonyl)imide
CID 4067273
1,1,2,2,3,3-Hexafluoro-3-(trifluoromethylsulfamoyl)propane-1-sulfonyl fluoride
CID 58519956
1,1,2,2,3,3,3-heptafluoro-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
CID 59703058

Frequently Asked Questions

What is the IUPAC name of (1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide?
The IUPAC name of (1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide (CID 58852812) is (1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide.
What is the SMILES notation for (1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide?
The canonical SMILES for (1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide is O=S(=O)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide?
The InChIKey is FCIHJFJFRKMNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F16NO6S3/c8-1(9,4(14,15)16)2(10,11)6(19,20)32(27,28)24-33(29,30)7(21,22)3(12,13)5(17,18)31(23,25)26/q-1.
What are the key properties of (1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide?
(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide has a molecular weight of 594.25 g/mol, XLogP of 3.57, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide is sourced from PubChem (CID 58852812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).