sodium;hydride;3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl sulfite

C8H5F13NaO3S- — CID 174850312

IUPACsodium;hydride;3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl sulfite
SMILESO=S([O-])OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[H-].[Na+]
InChIInChI=1S/C8H5F13O3S.Na.H/c9-3(10,1-2-24-25(22)23)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21;;/h1-2H2,(H,22,23);;/q;+1;-1/p-1
InChIKeyGLYQPKQVGSOZSP-UHFFFAOYSA-M
MW451.16 g/mol
LogP1.04
Rot. Bonds8

About sodium;hydride;3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl sulfite

sodium;hydride;3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl sulfite (PubChem CID 174850312) has the molecular formula C8H5F13NaO3S- and a molecular weight of 451.16 g/mol. Its IUPAC name is sodium;hydride;3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl sulfite.

Molecular Properties

Compound Namesodium;hydride;3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl sulfite
PubChem CID174850312
Molecular FormulaC8H5F13NaO3S-
Molecular Weight451.16 g/mol
Exact Mass450.97
IUPAC Namesodium;hydride;3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl sulfite
SMILESO=S([O-])OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[H-].[Na+]
InChIInChI=1S/C8H5F13O3S.Na.H/c9-3(10,1-2-24-25(22)23)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21;;/h1-2H2,(H,22,23);;/q;+1;-1/p-1
InChIKeyGLYQPKQVGSOZSP-UHFFFAOYSA-M
XLogP1.04
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.16
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl sulfite
CID 174942255
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 163325065
3,3,4,4,5,5,6,6,6-nonafluorohexyl 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl phosphate
CID 138394217
potassium 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl sulfate
CID 71750811
azanium 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl sulfate
CID 138395093
sodium;hydride;3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-ol
CID 175519012
12-ethoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorododecane
CID 58954528
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecyl acetate
CID 121274321
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl sulfamate
CID 11489625
bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) but-2-enedioate
CID 2782231
azane;3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononyl dihydrogen phosphate
CID 170848590
azane;bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-tritriacontafluorooctadecyl) hydrogen phosphate
CID 170846542

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl sulfite?
The IUPAC name of sodium;hydride;3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl sulfite (CID 174850312) is sodium;hydride;3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl sulfite.
What is the SMILES notation for sodium;hydride;3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl sulfite?
The canonical SMILES for sodium;hydride;3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl sulfite is O=S([O-])OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[H-].[Na+].
What is the InChIKey of sodium;hydride;3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl sulfite?
The InChIKey is GLYQPKQVGSOZSP-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H5F13O3S.Na.H/c9-3(10,1-2-24-25(22)23)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21;;/h1-2H2,(H,22,23);;/q;+1;-1/p-1.
What are the key properties of sodium;hydride;3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl sulfite?
sodium;hydride;3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl sulfite has a molecular weight of 451.16 g/mol, XLogP of 1.04, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl sulfite is sourced from PubChem (CID 174850312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).