1,1,2,2,3,3-hexafluorobutylsulfonyl(1,1,2,2-tetrafluoroethylsulfonyl)azanide

C6H4F10NO4S2- — CID 59112472

IUPAC1,1,2,2,3,3-hexafluorobutylsulfonyl(1,1,2,2-tetrafluoroethylsulfonyl)azanide
SMILESCC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(F)F
InChIInChI=1S/C6H4F10NO4S2/c1-3(9,10)5(13,14)6(15,16)23(20,21)17-22(18,19)4(11,12)2(7)8/h2H,1H3/q-1
InChIKeyUILQXEYSHDOAGH-UHFFFAOYSA-N
MW408.22 g/mol
LogP2.76
Rot. Bonds7

About 1,1,2,2,3,3-hexafluorobutylsulfonyl(1,1,2,2-tetrafluoroethylsulfonyl)azanide

1,1,2,2,3,3-hexafluorobutylsulfonyl(1,1,2,2-tetrafluoroethylsulfonyl)azanide (PubChem CID 59112472) has the molecular formula C6H4F10NO4S2- and a molecular weight of 408.22 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluorobutylsulfonyl(1,1,2,2-tetrafluoroethylsulfonyl)azanide.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluorobutylsulfonyl(1,1,2,2-tetrafluoroethylsulfonyl)azanide
PubChem CID59112472
Molecular FormulaC6H4F10NO4S2-
Molecular Weight408.22 g/mol
Exact Mass407.94
IUPAC Name1,1,2,2,3,3-hexafluorobutylsulfonyl(1,1,2,2-tetrafluoroethylsulfonyl)azanide
SMILESCC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(F)F
InChIInChI=1S/C6H4F10NO4S2/c1-3(9,10)5(13,14)6(15,16)23(20,21)17-22(18,19)4(11,12)2(7)8/h2H,1H3/q-1
InChIKeyUILQXEYSHDOAGH-UHFFFAOYSA-N
XLogP2.76
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.22
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexafluorobutylsulfonyl(1,1,2,2-tetrafluoroethylsulfonyl)azanide?
The IUPAC name of 1,1,2,2,3,3-hexafluorobutylsulfonyl(1,1,2,2-tetrafluoroethylsulfonyl)azanide (CID 59112472) is 1,1,2,2,3,3-hexafluorobutylsulfonyl(1,1,2,2-tetrafluoroethylsulfonyl)azanide.
What is the SMILES notation for 1,1,2,2,3,3-hexafluorobutylsulfonyl(1,1,2,2-tetrafluoroethylsulfonyl)azanide?
The canonical SMILES for 1,1,2,2,3,3-hexafluorobutylsulfonyl(1,1,2,2-tetrafluoroethylsulfonyl)azanide is CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2,3,3-hexafluorobutylsulfonyl(1,1,2,2-tetrafluoroethylsulfonyl)azanide?
The InChIKey is UILQXEYSHDOAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F10NO4S2/c1-3(9,10)5(13,14)6(15,16)23(20,21)17-22(18,19)4(11,12)2(7)8/h2H,1H3/q-1.
What are the key properties of 1,1,2,2,3,3-hexafluorobutylsulfonyl(1,1,2,2-tetrafluoroethylsulfonyl)azanide?
1,1,2,2,3,3-hexafluorobutylsulfonyl(1,1,2,2-tetrafluoroethylsulfonyl)azanide has a molecular weight of 408.22 g/mol, XLogP of 2.76, 7 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-hexafluorobutylsulfonyl(1,1,2,2-tetrafluoroethylsulfonyl)azanide is sourced from PubChem (CID 59112472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).