1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonimidic acid

C4H2F9NO2S — CID 118589680

IUPAC1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonimidic acid
SMILES[H]N=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H2F9NO2S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h(H2,14,15,16)
InChIKeyFUVKFLJWBHVMHX-UHFFFAOYSA-N
MW299.11 g/mol
LogP2.93
Rot. Bonds3

About 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonimidic acid

1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonimidic acid (PubChem CID 118589680) has the molecular formula C4H2F9NO2S and a molecular weight of 299.11 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonimidic acid.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonimidic acid
PubChem CID118589680
Molecular FormulaC4H2F9NO2S
Molecular Weight299.11 g/mol
Exact Mass298.97
IUPAC Name1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonimidic acid
SMILES[H]N=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H2F9NO2S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h(H2,14,15,16)
InChIKeyFUVKFLJWBHVMHX-UHFFFAOYSA-N
XLogP2.93
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.11
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonimidic acid?
The IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonimidic acid (CID 118589680) is 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonimidic acid.
What is the SMILES notation for 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonimidic acid?
The canonical SMILES for 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonimidic acid is [H]N=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonimidic acid?
The InChIKey is FUVKFLJWBHVMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F9NO2S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h(H2,14,15,16).
What are the key properties of 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonimidic acid?
1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonimidic acid has a molecular weight of 299.11 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonimidic acid is sourced from PubChem (CID 118589680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).