gold(1+);trifluoromethanesulfonate;tris(furan-2-yl)phosphane

C13H9AuF3O6PS — CID 66572930

IUPACgold(1+);trifluoromethanesulfonate;tris(furan-2-yl)phosphane
SMILESO=S(=O)([O-])C(F)(F)F.[Au+].c1coc(P(c2ccco2)c2ccco2)c1
InChIInChI=1S/C12H9O3P.CHF3O3S.Au/c1-4-10(13-7-1)16(11-5-2-8-14-11)12-6-3-9-15-12;2-1(3,4)8(5,6)7;/h1-9H;(H,5,6,7);/q;;+1/p-1
InChIKeyIVDUSEGWAHKLOU-UHFFFAOYSA-M
MW578.21 g/mol
LogP2.27
Rot. Bonds3

About gold(1+);trifluoromethanesulfonate;tris(furan-2-yl)phosphane

gold(1+);trifluoromethanesulfonate;tris(furan-2-yl)phosphane (PubChem CID 66572930) has the molecular formula C13H9AuF3O6PS and a molecular weight of 578.21 g/mol. Its IUPAC name is gold(1+);trifluoromethanesulfonate;tris(furan-2-yl)phosphane.

Molecular Properties

Compound Namegold(1+);trifluoromethanesulfonate;tris(furan-2-yl)phosphane
PubChem CID66572930
Molecular FormulaC13H9AuF3O6PS
Molecular Weight578.21 g/mol
Exact Mass577.95
IUPAC Namegold(1+);trifluoromethanesulfonate;tris(furan-2-yl)phosphane
SMILESO=S(=O)([O-])C(F)(F)F.[Au+].c1coc(P(c2ccco2)c2ccco2)c1
InChIInChI=1S/C12H9O3P.CHF3O3S.Au/c1-4-10(13-7-1)16(11-5-2-8-14-11)12-6-3-9-15-12;2-1(3,4)8(5,6)7;/h1-9H;(H,5,6,7);/q;;+1/p-1
InChIKeyIVDUSEGWAHKLOU-UHFFFAOYSA-M
XLogP2.27
TPSA96.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.21
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Tris(furan-2-yl)phosphane
CID 521585
Phosphine oxide, tri-2-furanyl-
CID 99413
Tri(3-furyl)phosphine
CID 10304870
Tri(2-furyl)phosphine selenide
CID 23271194
[Bis(furan-2-yl)-lambda3-iodanyl] trifluoromethanesulfonate
CID 15738845
Bis(furan-2-yl)iodanium;trifluoromethanesulfonate
CID 176442546
Tri(3-furyl)phosphine oxide
CID 23271196
Tri(2-furyl)phosphonium iodide
CID 129795484
Tris(furan-2-yl)-(trifluoromethyl)phosphanium
CID 171527868
Fluoro-tris(furan-2-yl)phosphanium
CID 171527871
Tris(furan-2-yl)-(trifluoromethoxy)phosphanium
CID 171817304
Methyltri(3-furyl)phosphonium iodide
CID 102060442

Frequently Asked Questions

What is the IUPAC name of gold(1+);trifluoromethanesulfonate;tris(furan-2-yl)phosphane?
The IUPAC name of gold(1+);trifluoromethanesulfonate;tris(furan-2-yl)phosphane (CID 66572930) is gold(1+);trifluoromethanesulfonate;tris(furan-2-yl)phosphane.
What is the SMILES notation for gold(1+);trifluoromethanesulfonate;tris(furan-2-yl)phosphane?
The canonical SMILES for gold(1+);trifluoromethanesulfonate;tris(furan-2-yl)phosphane is O=S(=O)([O-])C(F)(F)F.[Au+].c1coc(P(c2ccco2)c2ccco2)c1.
What is the InChIKey of gold(1+);trifluoromethanesulfonate;tris(furan-2-yl)phosphane?
The InChIKey is IVDUSEGWAHKLOU-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H9O3P.CHF3O3S.Au/c1-4-10(13-7-1)16(11-5-2-8-14-11)12-6-3-9-15-12;2-1(3,4)8(5,6)7;/h1-9H;(H,5,6,7);/q;;+1/p-1.
What are the key properties of gold(1+);trifluoromethanesulfonate;tris(furan-2-yl)phosphane?
gold(1+);trifluoromethanesulfonate;tris(furan-2-yl)phosphane has a molecular weight of 578.21 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for gold(1+);trifluoromethanesulfonate;tris(furan-2-yl)phosphane is sourced from PubChem (CID 66572930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).