1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylazanidylsulfonyl)propane-1-sulfinate

C4F9NO6S3-2 — CID 123959260

IUPAC1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylazanidylsulfonyl)propane-1-sulfinate
SMILESO=S([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C4HF9NO6S3/c5-1(6,2(7,8)21(15)16)3(9,10)22(17,18)14-23(19,20)4(11,12)13/h(H,15,16)/q-1/p-1
InChIKeyRSFMGAUIQGXDEM-UHFFFAOYSA-M
MW425.23 g/mol
LogP1.24
Rot. Bonds6

About 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylazanidylsulfonyl)propane-1-sulfinate

1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylazanidylsulfonyl)propane-1-sulfinate (PubChem CID 123959260) has the molecular formula C4F9NO6S3-2 and a molecular weight of 425.23 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylazanidylsulfonyl)propane-1-sulfinate.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylazanidylsulfonyl)propane-1-sulfinate
PubChem CID123959260
Molecular FormulaC4F9NO6S3-2
Molecular Weight425.23 g/mol
Exact Mass424.88
IUPAC Name1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylazanidylsulfonyl)propane-1-sulfinate
SMILESO=S([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C4HF9NO6S3/c5-1(6,2(7,8)21(15)16)3(9,10)22(17,18)14-23(19,20)4(11,12)13/h(H,15,16)/q-1/p-1
InChIKeyRSFMGAUIQGXDEM-UHFFFAOYSA-M
XLogP1.24
TPSA122.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.23
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

hexalithium;[1,1,2,2,3,3,4,4-octafluoro-4-[1,1,2,2,3,3,4,4-octafluoro-4-[1,1,2,2,3,3,4,4-octafluoro-4-[1,1,2,2,3,3,4,4-octafluoro-4-[1,1,2,2,3,3,4,4-octafluoro-4-(trifluoromethylsulfonylazanidylsulfonyl)butyl]sulfonylazanidylsulfonylbutyl]sulfonylazanidylsulfonylbutyl]sulfonylazanidylsulfonylbutyl]sulfonylazanidylsulfonylbutyl]sulfonyl-(trifluoromethylsulfonyl)azanide
CID 177414090
lithium;hydride;1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfinate
CID 174871743
bis(trifluoromethylsulfonyl)azanide;uranium
CID 162552088
tris(bis(trifluoromethylsulfonyl)azanide);ruthenium(3+)
CID 158320833
bis(trifluoromethylsulfonyl)azanide;gold(1+)
CID 102109298
magnesium;tetrakis(bis(trifluoromethylsulfonyl)azanide);manganese(2+)
CID 163413533
sodium bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide
CID 87423860
copper bis(bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide)
CID 25185926
magnesium;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;chloride
CID 140785394
sodium bis(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)azanide
CID 154724969
potassium bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)azanide
CID 154703557
CID 11091952
CID 11091952

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylazanidylsulfonyl)propane-1-sulfinate?
The IUPAC name of 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylazanidylsulfonyl)propane-1-sulfinate (CID 123959260) is 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylazanidylsulfonyl)propane-1-sulfinate.
What is the SMILES notation for 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylazanidylsulfonyl)propane-1-sulfinate?
The canonical SMILES for 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylazanidylsulfonyl)propane-1-sulfinate is O=S([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylazanidylsulfonyl)propane-1-sulfinate?
The InChIKey is RSFMGAUIQGXDEM-UHFFFAOYSA-M. The full InChI is InChI=1S/C4HF9NO6S3/c5-1(6,2(7,8)21(15)16)3(9,10)22(17,18)14-23(19,20)4(11,12)13/h(H,15,16)/q-1/p-1.
What are the key properties of 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylazanidylsulfonyl)propane-1-sulfinate?
1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylazanidylsulfonyl)propane-1-sulfinate has a molecular weight of 425.23 g/mol, XLogP of 1.24, 6 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-(trifluoromethylsulfonylazanidylsulfonyl)propane-1-sulfinate is sourced from PubChem (CID 123959260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).