tris(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonate);yttrium(3+)

C18F39O9S3Y — CID 165362333

IUPACtris(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonate);yttrium(3+)
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Y+3]
InChIInChI=1S/3C6HF13O3S.Y/c3*7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22;/h3*(H,20,21,22);/q;;;+3/p-3
InChIKeyNTVWDNITACNSGD-UHFFFAOYSA-K
MW1286.22 g/mol
LogP9.68
Rot. Bonds15

About tris(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonate);yttrium(3+)

tris(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonate);yttrium(3+) (PubChem CID 165362333) has the molecular formula C18F39O9S3Y and a molecular weight of 1286.22 g/mol. Its IUPAC name is tris(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonate);yttrium(3+).

Molecular Properties

Compound Nametris(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonate);yttrium(3+)
PubChem CID165362333
Molecular FormulaC18F39O9S3Y
Molecular Weight1286.22 g/mol
Exact Mass1285.71
IUPAC Nametris(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonate);yttrium(3+)
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Y+3]
InChIInChI=1S/3C6HF13O3S.Y/c3*7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22;/h3*(H,20,21,22);/q;;;+3/p-3
InChIKeyNTVWDNITACNSGD-UHFFFAOYSA-K
XLogP9.68
TPSA171.60 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001286.22
LogP ≤ 59.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze tris(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonate);yttrium(3+) with MolForge

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Related Compounds

Perfluorooctane sulfonic anhydride
CID 54444622
Perfluorodecane sulfonic anhydride
CID 53835826
Perfluoroheptane sulfonic anhydride
CID 54178575
Perfluoropentane sulfonic anhydride
CID 54386350
Perfluorohexane sulfonic anhydride
CID 87205372
Gallium(3+) tris(tridecafluorohexane-1-sulfonate)
CID 22604717
Ytterbium perfluorooctanesulfonate
CID 11263448
Scandium tris(heptadecafluorooctanesulfonate)
CID 11297894
Perfluorohexanesulfonic acid, scandium(3+) salt (3:1)
CID 165362331
Perfluorohexanesulfonic acid, neodymium(3+) salt (3:1)
CID 165362332
Tris(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate);neodymium(3+)
CID 101032665
Tris(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate);yttrium(3+)
CID 135085368

Frequently Asked Questions

What is the IUPAC name of tris(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonate);yttrium(3+)?
The IUPAC name of tris(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonate);yttrium(3+) (CID 165362333) is tris(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonate);yttrium(3+).
What is the SMILES notation for tris(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonate);yttrium(3+)?
The canonical SMILES for tris(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonate);yttrium(3+) is O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Y+3].
What is the InChIKey of tris(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonate);yttrium(3+)?
The InChIKey is NTVWDNITACNSGD-UHFFFAOYSA-K. The full InChI is InChI=1S/3C6HF13O3S.Y/c3*7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22;/h3*(H,20,21,22);/q;;;+3/p-3.
What are the key properties of tris(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonate);yttrium(3+)?
tris(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonate);yttrium(3+) has a molecular weight of 1286.22 g/mol, XLogP of 9.68, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonate);yttrium(3+) is sourced from PubChem (CID 165362333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).