(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl) sulfite

C8H10F6NO5S2- — CID 59611900

IUPAC(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl) sulfite
SMILESO=S([O-])OC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C8H11F6NO5S2/c9-6(10,7(11,12)20-21(16)17)8(13,14)22(18,19)15-4-2-1-3-5-15/h1-5H2,(H,16,17)/p-1
InChIKeySNYPWNWVQFROIC-UHFFFAOYSA-M
MW378.29 g/mol
LogP1.43
Rot. Bonds6

About (1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl) sulfite

(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl) sulfite (PubChem CID 59611900) has the molecular formula C8H10F6NO5S2- and a molecular weight of 378.29 g/mol. Its IUPAC name is (1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl) sulfite.

Molecular Properties

Compound Name(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl) sulfite
PubChem CID59611900
Molecular FormulaC8H10F6NO5S2-
Molecular Weight378.29 g/mol
Exact Mass377.99
IUPAC Name(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl) sulfite
SMILESO=S([O-])OC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C8H11F6NO5S2/c9-6(10,7(11,12)20-21(16)17)8(13,14)22(18,19)15-4-2-1-3-5-15/h1-5H2,(H,16,17)/p-1
InChIKeySNYPWNWVQFROIC-UHFFFAOYSA-M
XLogP1.43
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.29
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,3,3-Hexafluoro-3-(piperidin-1-ylsulfonyl)propane-1-sulfonic acid
CID 23144941
Piperidin-1-yl 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropane-1-sulfonate
CID 57587799
1-[3,3-Difluoro-3-(trioxidanylsulfanyl)propyl]sulfonylpiperidine
CID 57616841
(1,1,2,2,3,3-Hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-(trifluoromethylsulfonyl)azanide
CID 57981554
1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
CID 57981555
1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonyl-N-(trifluoromethyl)propane-1-sulfonamide
CID 58031149
(1,1,2,2,3,3-Hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-(trifluoromethyl)azanide
CID 58051951
1-(1,1,2,2,3,3-Hexafluorobutylsulfonyl)piperidine
CID 58108244
1-[1,1-Difluoroethoxy(difluoro)methyl]sulfonylpiperidine
CID 58122698
1-(1,1,2,2,3,3-Hexafluoropropylsulfonyl)piperidine
CID 58240386
1,1,2,2,3,3-hexafluoro-N-methyl-3-piperidin-1-ylsulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
CID 58240456
1-(1,1,2,2,3,3-Hexafluoropentylsulfonyl)piperidine
CID 58291401

Frequently Asked Questions

What is the IUPAC name of (1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl) sulfite?
The IUPAC name of (1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl) sulfite (CID 59611900) is (1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl) sulfite.
What is the SMILES notation for (1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl) sulfite?
The canonical SMILES for (1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl) sulfite is O=S([O-])OC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCCCC1.
What is the InChIKey of (1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl) sulfite?
The InChIKey is SNYPWNWVQFROIC-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H11F6NO5S2/c9-6(10,7(11,12)20-21(16)17)8(13,14)22(18,19)15-4-2-1-3-5-15/h1-5H2,(H,16,17)/p-1.
What are the key properties of (1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl) sulfite?
(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl) sulfite has a molecular weight of 378.29 g/mol, XLogP of 1.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl) sulfite is sourced from PubChem (CID 59611900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).