1,1,2,2,2-pentafluoroethylsulfonyl(trifluoromethylsulfonyl)azanide

C3F8NO4S2- — CID 59148743

IUPAC1,1,2,2,2-pentafluoroethylsulfonyl(trifluoromethylsulfonyl)azanide
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3F8NO4S2/c4-1(5,6)2(7,8)17(13,14)12-18(15,16)3(9,10)11/q-1
InChIKeyNKTKDQUSRLQPSE-UHFFFAOYSA-N
MW330.15 g/mol
LogP1.69
Rot. Bonds3

About 1,1,2,2,2-pentafluoroethylsulfonyl(trifluoromethylsulfonyl)azanide

1,1,2,2,2-pentafluoroethylsulfonyl(trifluoromethylsulfonyl)azanide (PubChem CID 59148743) has the molecular formula C3F8NO4S2- and a molecular weight of 330.15 g/mol. Its IUPAC name is 1,1,2,2,2-pentafluoroethylsulfonyl(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Name1,1,2,2,2-pentafluoroethylsulfonyl(trifluoromethylsulfonyl)azanide
PubChem CID59148743
Molecular FormulaC3F8NO4S2-
Molecular Weight330.15 g/mol
Exact Mass329.91
IUPAC Name1,1,2,2,2-pentafluoroethylsulfonyl(trifluoromethylsulfonyl)azanide
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3F8NO4S2/c4-1(5,6)2(7,8)17(13,14)12-18(15,16)3(9,10)11/q-1
InChIKeyNKTKDQUSRLQPSE-UHFFFAOYSA-N
XLogP1.69
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.15
LogP ≤ 51.69
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

Pentafluoroethanesulfonamide
CID 11252905
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
Bis(1,1,2,2,3,3,3-heptafluoro-1-propanesulfonyl)imide
CID 12167909
Nonafluorobutylsulfonyl(trifluoromethylsulfonyl)amine
CID 11048287
Perfluoro-N-[(trifluoromethyl)sulfonyl]butanesulfonamide sodium salt
CID 138396263
Bis(perfluoroethylsulfonyl)imide
CID 4067273
N-Propyl-Methyl Piperidinium Bis(trifluoroMethylsulfonyl)Imide
CID 4176748
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
Tetrafluoroethane-1,2-disulfonic acid difluoride
CID 10923456
Pentafluoroethylsulfonyl(trifluoromethylsulfonyl)amine
CID 57680057

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,2-pentafluoroethylsulfonyl(trifluoromethylsulfonyl)azanide?
The IUPAC name of 1,1,2,2,2-pentafluoroethylsulfonyl(trifluoromethylsulfonyl)azanide (CID 59148743) is 1,1,2,2,2-pentafluoroethylsulfonyl(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for 1,1,2,2,2-pentafluoroethylsulfonyl(trifluoromethylsulfonyl)azanide?
The canonical SMILES for 1,1,2,2,2-pentafluoroethylsulfonyl(trifluoromethylsulfonyl)azanide is O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,2-pentafluoroethylsulfonyl(trifluoromethylsulfonyl)azanide?
The InChIKey is NKTKDQUSRLQPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F8NO4S2/c4-1(5,6)2(7,8)17(13,14)12-18(15,16)3(9,10)11/q-1.
What are the key properties of 1,1,2,2,2-pentafluoroethylsulfonyl(trifluoromethylsulfonyl)azanide?
1,1,2,2,2-pentafluoroethylsulfonyl(trifluoromethylsulfonyl)azanide has a molecular weight of 330.15 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,2-pentafluoroethylsulfonyl(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 59148743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).