1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)sulfonylcyclohexane

C12F22O2S — CID 87156298

IUPAC1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)sulfonylcyclohexane
SMILESO=S(=O)(C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C12F22O2S/c13-1(14)3(17,18)7(25,26)11(33,8(27,28)4(1,19)20)37(35,36)12(34)9(29,30)5(21,22)2(15,16)6(23,24)10(12,31)32
InChIKeyWUOSNEVVKHQLEW-UHFFFAOYSA-N
MW626.15 g/mol
LogP6.11
Rot. Bonds2

About 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)sulfonylcyclohexane

1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)sulfonylcyclohexane (PubChem CID 87156298) has the molecular formula C12F22O2S and a molecular weight of 626.15 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)sulfonylcyclohexane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)sulfonylcyclohexane
PubChem CID87156298
Molecular FormulaC12F22O2S
Molecular Weight626.15 g/mol
Exact Mass625.93
IUPAC Name1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)sulfonylcyclohexane
SMILESO=S(=O)(C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C12F22O2S/c13-1(14)3(17,18)7(25,26)11(33,8(27,28)4(1,19)20)37(35,36)12(34)9(29,30)5(21,22)2(15,16)6(23,24)10(12,31)32
InChIKeyWUOSNEVVKHQLEW-UHFFFAOYSA-N
XLogP6.11
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.15
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)sulfonylcyclohexane with MolForge

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Related Compounds

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-triacontafluorocyclopentadecane
CID 162355786
1,2,2,3,3,4,5,5,6,6-decafluoro-4-fluorosulfonylcyclohexane-1-carbonyl fluoride
CID 19807657
2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1,1-dicarbonyl fluoride
CID 88638074
1-ethyl-2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1-sulfonic acid
CID 22660509
1,2,2,2-tetrafluoro-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanesulfonamide
CID 172701890
methyl (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) sulfate
CID 87154403
hexafluoro-λ6-sulfane;1,1,2,2,3,3,4,4-octafluorocyclobutane
CID 174484392
1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)cyclohexane-1-sulfonamide
CID 58855441
2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorothiocane 1-oxide
CID 87925261
1,1,2,2,3,3,4,4,5-nonafluoro-5-nitrosocyclopentane
CID 13383161
sulfuric acid;2,2,3-trifluoro-3-(trifluoromethyl)oxirane
CID 87965023
2,2,3,3,4,5,5,6,6-nonafluorooxane-4-carbonyl fluoride
CID 11403631

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)sulfonylcyclohexane?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)sulfonylcyclohexane (CID 87156298) is 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)sulfonylcyclohexane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)sulfonylcyclohexane?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)sulfonylcyclohexane is O=S(=O)(C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)sulfonylcyclohexane?
The InChIKey is WUOSNEVVKHQLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12F22O2S/c13-1(14)3(17,18)7(25,26)11(33,8(27,28)4(1,19)20)37(35,36)12(34)9(29,30)5(21,22)2(15,16)6(23,24)10(12,31)32.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)sulfonylcyclohexane?
1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)sulfonylcyclohexane has a molecular weight of 626.15 g/mol, XLogP of 6.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)sulfonylcyclohexane is sourced from PubChem (CID 87156298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).