cyclohexyloxysulfonyl-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonylazanide

C9H11F7NO7S3- — CID 140750706

IUPACcyclohexyloxysulfonyl-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonylazanide
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)F)OC1CCCCC1
InChIInChI=1S/C9H11F7NO7S3/c10-7(11,8(12,13)25(16,18)19)9(14,15)26(20,21)17-27(22,23)24-6-4-2-1-3-5-6/h6H,1-5H2/q-1
InChIKeyAXCCZFVTBXQWCK-UHFFFAOYSA-N
MW474.37 g/mol
LogP2.40
Rot. Bonds8

About cyclohexyloxysulfonyl-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonylazanide

cyclohexyloxysulfonyl-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonylazanide (PubChem CID 140750706) has the molecular formula C9H11F7NO7S3- and a molecular weight of 474.37 g/mol. Its IUPAC name is cyclohexyloxysulfonyl-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonylazanide.

Molecular Properties

Compound Namecyclohexyloxysulfonyl-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonylazanide
PubChem CID140750706
Molecular FormulaC9H11F7NO7S3-
Molecular Weight474.37 g/mol
Exact Mass473.96
IUPAC Namecyclohexyloxysulfonyl-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonylazanide
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)F)OC1CCCCC1
InChIInChI=1S/C9H11F7NO7S3/c10-7(11,8(12,13)25(16,18)19)9(14,15)26(20,21)17-27(22,23)24-6-4-2-1-3-5-6/h6H,1-5H2/q-1
InChIKeyAXCCZFVTBXQWCK-UHFFFAOYSA-N
XLogP2.40
TPSA125.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.37
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 cyclohexyloxysulfonyl-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonylazanide?
The IUPAC name of cyclohexyloxysulfonyl-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonylazanide (CID 140750706) is cyclohexyloxysulfonyl-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonylazanide.
What is the SMILES notation for cyclohexyloxysulfonyl-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonylazanide?
The canonical SMILES for cyclohexyloxysulfonyl-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonylazanide is O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)F)OC1CCCCC1.
What is the InChIKey of cyclohexyloxysulfonyl-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonylazanide?
The InChIKey is AXCCZFVTBXQWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F7NO7S3/c10-7(11,8(12,13)25(16,18)19)9(14,15)26(20,21)17-27(22,23)24-6-4-2-1-3-5-6/h6H,1-5H2/q-1.
What are the key properties of cyclohexyloxysulfonyl-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonylazanide?
cyclohexyloxysulfonyl-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonylazanide has a molecular weight of 474.37 g/mol, XLogP of 2.40, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyloxysulfonyl-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonylazanide is sourced from PubChem (CID 140750706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).