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

C5H3F9NO4S2- — CID 58122766

IUPAC1,1,2,2,2-pentafluoroethylsulfonyl(1,1,2,2-tetrafluoropropylsulfonyl)azanide
SMILESCC(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H3F9NO4S2/c1-2(6,7)4(11,12)20(16,17)15-21(18,19)5(13,14)3(8,9)10/h1H3/q-1
InChIKeyDSVPUQCUVBNJFK-UHFFFAOYSA-N
MW376.20 g/mol
LogP2.42
Rot. Bonds5

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

1,1,2,2,2-pentafluoroethylsulfonyl(1,1,2,2-tetrafluoropropylsulfonyl)azanide (PubChem CID 58122766) has the molecular formula C5H3F9NO4S2- and a molecular weight of 376.20 g/mol. Its IUPAC name is 1,1,2,2,2-pentafluoroethylsulfonyl(1,1,2,2-tetrafluoropropylsulfonyl)azanide.

Molecular Properties

Compound Name1,1,2,2,2-pentafluoroethylsulfonyl(1,1,2,2-tetrafluoropropylsulfonyl)azanide
PubChem CID58122766
Molecular FormulaC5H3F9NO4S2-
Molecular Weight376.20 g/mol
Exact Mass375.94
IUPAC Name1,1,2,2,2-pentafluoroethylsulfonyl(1,1,2,2-tetrafluoropropylsulfonyl)azanide
SMILESCC(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H3F9NO4S2/c1-2(6,7)4(11,12)20(16,17)15-21(18,19)5(13,14)3(8,9)10/h1H3/q-1
InChIKeyDSVPUQCUVBNJFK-UHFFFAOYSA-N
XLogP2.42
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.20
LogP ≤ 52.42
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 1,1,2,2,2-pentafluoroethylsulfonyl(1,1,2,2-tetrafluoropropylsulfonyl)azanide?
The IUPAC name of 1,1,2,2,2-pentafluoroethylsulfonyl(1,1,2,2-tetrafluoropropylsulfonyl)azanide (CID 58122766) is 1,1,2,2,2-pentafluoroethylsulfonyl(1,1,2,2-tetrafluoropropylsulfonyl)azanide.
What is the SMILES notation for 1,1,2,2,2-pentafluoroethylsulfonyl(1,1,2,2-tetrafluoropropylsulfonyl)azanide?
The canonical SMILES for 1,1,2,2,2-pentafluoroethylsulfonyl(1,1,2,2-tetrafluoropropylsulfonyl)azanide is CC(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,2-pentafluoroethylsulfonyl(1,1,2,2-tetrafluoropropylsulfonyl)azanide?
The InChIKey is DSVPUQCUVBNJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F9NO4S2/c1-2(6,7)4(11,12)20(16,17)15-21(18,19)5(13,14)3(8,9)10/h1H3/q-1.
What are the key properties of 1,1,2,2,2-pentafluoroethylsulfonyl(1,1,2,2-tetrafluoropropylsulfonyl)azanide?
1,1,2,2,2-pentafluoroethylsulfonyl(1,1,2,2-tetrafluoropropylsulfonyl)azanide has a molecular weight of 376.20 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,2-pentafluoroethylsulfonyl(1,1,2,2-tetrafluoropropylsulfonyl)azanide is sourced from PubChem (CID 58122766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).