potassium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylazanide

C4HF9KNO2S — CID 141294936

IUPACpotassium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylazanide
SMILES[K+].[NH-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4HF9NO2S.K/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;/h(H-,14,15,16);/q-1;+1
InChIKeyMDWORHWRVQVKQV-UHFFFAOYSA-N
MW337.20 g/mol
LogP-0.20
Rot. Bonds3

About potassium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylazanide

potassium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylazanide (PubChem CID 141294936) has the molecular formula C4HF9KNO2S and a molecular weight of 337.20 g/mol. Its IUPAC name is potassium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylazanide.

Molecular Properties

Compound Namepotassium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylazanide
PubChem CID141294936
Molecular FormulaC4HF9KNO2S
Molecular Weight337.20 g/mol
Exact Mass336.92
IUPAC Namepotassium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylazanide
SMILES[K+].[NH-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4HF9NO2S.K/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;/h(H-,14,15,16);/q-1;+1
InChIKeyMDWORHWRVQVKQV-UHFFFAOYSA-N
XLogP-0.20
TPSA57.94 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.20
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,3,3,3-heptafluoropropylsulfonylazanide
CID 154269472
azane;(1,1,2,2,3,3,4,4,4-nonafluorobutyl-oxo-oxoniumylidene-λ6-sulfanyl)azanide
CID 170852078
lithium (1,1,2,2,3,3-hexafluoro-3-sulfamoylpropyl)sulfonylazanide
CID 87784183
1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylphosphane
CID 152575055
potassium bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)azanide
CID 154703557
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonamide
CID 21267702
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,23-heptatetracontafluorotricosylsulfonyl 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,23-heptatetracontafluorotricosane-1-sulfonate
CID 88836150
1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid;stibane
CID 173196652
azane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl fluoride;dihydrofluoride
CID 175311052
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-pentatriacontafluoroheptadecane-1-sulfonate
CID 23533140
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonyl chloride
CID 22623361
bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate);lead(2+)
CID 88695322

Frequently Asked Questions

What is the IUPAC name of potassium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylazanide?
The IUPAC name of potassium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylazanide (CID 141294936) is potassium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylazanide.
What is the SMILES notation for potassium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylazanide?
The canonical SMILES for potassium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylazanide is [K+].[NH-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of potassium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylazanide?
The InChIKey is MDWORHWRVQVKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF9NO2S.K/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;/h(H-,14,15,16);/q-1;+1.
What are the key properties of potassium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylazanide?
potassium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylazanide has a molecular weight of 337.20 g/mol, XLogP of -0.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylazanide is sourced from PubChem (CID 141294936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).