cyclohexyl N-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonylsulfamate

C9H12F7NO7S3 — CID 122661234

IUPACcyclohexyl N-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonylsulfamate
SMILESO=S(=O)(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)F)OC1CCCCC1
InChIInChI=1S/C9H12F7NO7S3/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/h6,17H,1-5H2
InChIKeyIPIAKIQHWPSWAH-UHFFFAOYSA-N
MW475.38 g/mol
LogP1.62
Rot. Bonds8

About cyclohexyl N-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonylsulfamate

cyclohexyl N-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonylsulfamate (PubChem CID 122661234) has the molecular formula C9H12F7NO7S3 and a molecular weight of 475.38 g/mol. Its IUPAC name is cyclohexyl N-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonylsulfamate.

Molecular Properties

Compound Namecyclohexyl N-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonylsulfamate
PubChem CID122661234
Molecular FormulaC9H12F7NO7S3
Molecular Weight475.38 g/mol
Exact Mass474.97
IUPAC Namecyclohexyl N-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonylsulfamate
SMILESO=S(=O)(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)F)OC1CCCCC1
InChIInChI=1S/C9H12F7NO7S3/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/h6,17H,1-5H2
InChIKeyIPIAKIQHWPSWAH-UHFFFAOYSA-N
XLogP1.62
TPSA123.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.38
LogP ≤ 51.62
H-Bond Donors ≤ 51
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 cyclohexyl N-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonylsulfamate?
The IUPAC name of cyclohexyl N-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonylsulfamate (CID 122661234) is cyclohexyl N-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonylsulfamate.
What is the SMILES notation for cyclohexyl N-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonylsulfamate?
The canonical SMILES for cyclohexyl N-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonylsulfamate is O=S(=O)(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)F)OC1CCCCC1.
What is the InChIKey of cyclohexyl N-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonylsulfamate?
The InChIKey is IPIAKIQHWPSWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F7NO7S3/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/h6,17H,1-5H2.
What are the key properties of cyclohexyl N-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonylsulfamate?
cyclohexyl N-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonylsulfamate has a molecular weight of 475.38 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl N-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonylsulfamate is sourced from PubChem (CID 122661234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).