1,1,2,2,3-pentafluoropropylsulfonyl(trifluoromethylsulfonyl)azanide

C4H2F8NO4S2- — CID 59465076

IUPAC1,1,2,2,3-pentafluoropropylsulfonyl(trifluoromethylsulfonyl)azanide
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)CF)C(F)(F)F
InChIInChI=1S/C4H2F8NO4S2/c5-1-2(6,7)3(8,9)18(14,15)13-19(16,17)4(10,11)12/h1H2/q-1
InChIKeyRZOKBUYMNOKLFK-UHFFFAOYSA-N
MW344.18 g/mol
LogP1.74
Rot. Bonds5

About 1,1,2,2,3-pentafluoropropylsulfonyl(trifluoromethylsulfonyl)azanide

1,1,2,2,3-pentafluoropropylsulfonyl(trifluoromethylsulfonyl)azanide (PubChem CID 59465076) has the molecular formula C4H2F8NO4S2- and a molecular weight of 344.18 g/mol. Its IUPAC name is 1,1,2,2,3-pentafluoropropylsulfonyl(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Name1,1,2,2,3-pentafluoropropylsulfonyl(trifluoromethylsulfonyl)azanide
PubChem CID59465076
Molecular FormulaC4H2F8NO4S2-
Molecular Weight344.18 g/mol
Exact Mass343.93
IUPAC Name1,1,2,2,3-pentafluoropropylsulfonyl(trifluoromethylsulfonyl)azanide
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)CF)C(F)(F)F
InChIInChI=1S/C4H2F8NO4S2/c5-1-2(6,7)3(8,9)18(14,15)13-19(16,17)4(10,11)12/h1H2/q-1
InChIKeyRZOKBUYMNOKLFK-UHFFFAOYSA-N
XLogP1.74
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.18
LogP ≤ 51.74
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-pentafluoropropylsulfonyl(trifluoromethylsulfonyl)azanide?
The IUPAC name of 1,1,2,2,3-pentafluoropropylsulfonyl(trifluoromethylsulfonyl)azanide (CID 59465076) is 1,1,2,2,3-pentafluoropropylsulfonyl(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for 1,1,2,2,3-pentafluoropropylsulfonyl(trifluoromethylsulfonyl)azanide?
The canonical SMILES for 1,1,2,2,3-pentafluoropropylsulfonyl(trifluoromethylsulfonyl)azanide is O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)CF)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3-pentafluoropropylsulfonyl(trifluoromethylsulfonyl)azanide?
The InChIKey is RZOKBUYMNOKLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F8NO4S2/c5-1-2(6,7)3(8,9)18(14,15)13-19(16,17)4(10,11)12/h1H2/q-1.
What are the key properties of 1,1,2,2,3-pentafluoropropylsulfonyl(trifluoromethylsulfonyl)azanide?
1,1,2,2,3-pentafluoropropylsulfonyl(trifluoromethylsulfonyl)azanide has a molecular weight of 344.18 g/mol, XLogP of 1.74, 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-pentafluoropropylsulfonyl(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 59465076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).