1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-[sulfamoyl(trimethylsilyl)amino]hexane

C9H11F13N2O2SSi — CID 140522451

IUPAC1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-[sulfamoyl(trimethylsilyl)amino]hexane
SMILESC[Si](C)(C)N(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C9H11F13N2O2SSi/c1-28(2,3)24(27(23,25)26)9(21,22)7(16,17)5(12,13)4(10,11)6(14,15)8(18,19)20/h1-3H3,(H2,23,25,26)
InChIKeyXIHQHDWELRONIO-UHFFFAOYSA-N
MW486.33 g/mol
LogP4.02
Rot. Bonds7

About 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-[sulfamoyl(trimethylsilyl)amino]hexane

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-[sulfamoyl(trimethylsilyl)amino]hexane (PubChem CID 140522451) has the molecular formula C9H11F13N2O2SSi and a molecular weight of 486.33 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-[sulfamoyl(trimethylsilyl)amino]hexane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-[sulfamoyl(trimethylsilyl)amino]hexane
PubChem CID140522451
Molecular FormulaC9H11F13N2O2SSi
Molecular Weight486.33 g/mol
Exact Mass486.01
IUPAC Name1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-[sulfamoyl(trimethylsilyl)amino]hexane
SMILESC[Si](C)(C)N(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C9H11F13N2O2SSi/c1-28(2,3)24(27(23,25)26)9(21,22)7(16,17)5(12,13)4(10,11)6(14,15)8(18,19)20/h1-3H3,(H2,23,25,26)
InChIKeyXIHQHDWELRONIO-UHFFFAOYSA-N
XLogP4.02
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.33
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 87586579
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonamide
CID 21267702
sodium;hydride;1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-trimethylsilylhexane-1-sulfonamide
CID 173151402
N,1,1,2,2,3,3,4,4,5,5,5-dodecafluoro-N-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)pentan-1-amine
CID 15932893
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-docosafluorodecane;trifluoromethanesulfonic acid
CID 87936901
1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonohydrazide
CID 155317025
2,2-difluoro-2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl-(1,1,2,2,3,3,3-heptafluoropropylsulfonylamino)amino]acetic acid
CID 139981533
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane;1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
CID 22712913
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652
1,2,2,3,3,3-hexafluoropropane-1,1-disulfonamide
CID 87361345
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl sulfamate
CID 11489625
2-[ethylsulfonyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)amino]acetic acid
CID 88713561

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-[sulfamoyl(trimethylsilyl)amino]hexane?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-[sulfamoyl(trimethylsilyl)amino]hexane (CID 140522451) is 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-[sulfamoyl(trimethylsilyl)amino]hexane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-[sulfamoyl(trimethylsilyl)amino]hexane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-[sulfamoyl(trimethylsilyl)amino]hexane is C[Si](C)(C)N(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)S(N)(=O)=O.
What is the InChIKey of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-[sulfamoyl(trimethylsilyl)amino]hexane?
The InChIKey is XIHQHDWELRONIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F13N2O2SSi/c1-28(2,3)24(27(23,25)26)9(21,22)7(16,17)5(12,13)4(10,11)6(14,15)8(18,19)20/h1-3H3,(H2,23,25,26).
What are the key properties of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-[sulfamoyl(trimethylsilyl)amino]hexane?
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-[sulfamoyl(trimethylsilyl)amino]hexane has a molecular weight of 486.33 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-[sulfamoyl(trimethylsilyl)amino]hexane is sourced from PubChem (CID 140522451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).