1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(trifluoromethylsulfonyl)azanide

C5F12NO4S2- — CID 23524874

IUPAC1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(trifluoromethylsulfonyl)azanide
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5F12NO4S2/c6-1(7,3(10,11)12)2(8,9)4(13,14)23(19,20)18-24(21,22)5(15,16)17/q-1
InChIKeyUTJZEWLFVCEMOM-UHFFFAOYSA-N
MW430.17 g/mol
LogP2.97
Rot. Bonds5

About 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(trifluoromethylsulfonyl)azanide

1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(trifluoromethylsulfonyl)azanide (PubChem CID 23524874) has the molecular formula C5F12NO4S2- and a molecular weight of 430.17 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(trifluoromethylsulfonyl)azanide
PubChem CID23524874
Molecular FormulaC5F12NO4S2-
Molecular Weight430.17 g/mol
Exact Mass429.91
IUPAC Name1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(trifluoromethylsulfonyl)azanide
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5F12NO4S2/c6-1(7,3(10,11)12)2(8,9)4(13,14)23(19,20)18-24(21,22)5(15,16)17/q-1
InChIKeyUTJZEWLFVCEMOM-UHFFFAOYSA-N
XLogP2.97
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.17
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Perfluorobutane sulfonamide
CID 10958205
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
1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonic anhydride
CID 4281883
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
Ammonium N,N-bis(perfluorobutanesulfonyl)amide
CID 11180926
Perfluoro-N-[(trifluoromethyl)sulfonyl]butanesulfonamide sodium salt
CID 138396263

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(trifluoromethylsulfonyl)azanide?
The IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(trifluoromethylsulfonyl)azanide (CID 23524874) is 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(trifluoromethylsulfonyl)azanide?
The canonical SMILES for 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(trifluoromethylsulfonyl)azanide is O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(trifluoromethylsulfonyl)azanide?
The InChIKey is UTJZEWLFVCEMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5F12NO4S2/c6-1(7,3(10,11)12)2(8,9)4(13,14)23(19,20)18-24(21,22)5(15,16)17/q-1.
What are the key properties of 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(trifluoromethylsulfonyl)azanide?
1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(trifluoromethylsulfonyl)azanide has a molecular weight of 430.17 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 23524874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).