gold(1+);trifluoromethanesulfonate;triphenylphosphane

C19H15AuF3O3PS — CID 15367309

IUPACgold(1+);trifluoromethanesulfonate;triphenylphosphane
SMILESO=S(=O)([O-])C(F)(F)F.[Au+].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.CHF3O3S.Au/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)8(5,6)7;/h1-15H;(H,5,6,7);/q;;+1/p-1
InChIKeyPKNGCXGJNWEWTH-UHFFFAOYSA-M
MW608.33 g/mol
LogP3.49
Rot. Bonds3

About gold(1+);trifluoromethanesulfonate;triphenylphosphane

gold(1+);trifluoromethanesulfonate;triphenylphosphane (PubChem CID 15367309) has the molecular formula C19H15AuF3O3PS and a molecular weight of 608.33 g/mol. Its IUPAC name is gold(1+);trifluoromethanesulfonate;triphenylphosphane.

Molecular Properties

Compound Namegold(1+);trifluoromethanesulfonate;triphenylphosphane
PubChem CID15367309
Molecular FormulaC19H15AuF3O3PS
Molecular Weight608.33 g/mol
Exact Mass608.01
IUPAC Namegold(1+);trifluoromethanesulfonate;triphenylphosphane
SMILESO=S(=O)([O-])C(F)(F)F.[Au+].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.CHF3O3S.Au/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)8(5,6)7;/h1-15H;(H,5,6,7);/q;;+1/p-1
InChIKeyPKNGCXGJNWEWTH-UHFFFAOYSA-M
XLogP3.49
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500608.33
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of gold(1+);trifluoromethanesulfonate;triphenylphosphane?
The IUPAC name of gold(1+);trifluoromethanesulfonate;triphenylphosphane (CID 15367309) is gold(1+);trifluoromethanesulfonate;triphenylphosphane.
What is the SMILES notation for gold(1+);trifluoromethanesulfonate;triphenylphosphane?
The canonical SMILES for gold(1+);trifluoromethanesulfonate;triphenylphosphane is O=S(=O)([O-])C(F)(F)F.[Au+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of gold(1+);trifluoromethanesulfonate;triphenylphosphane?
The InChIKey is PKNGCXGJNWEWTH-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H15P.CHF3O3S.Au/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)8(5,6)7;/h1-15H;(H,5,6,7);/q;;+1/p-1.
What are the key properties of gold(1+);trifluoromethanesulfonate;triphenylphosphane?
gold(1+);trifluoromethanesulfonate;triphenylphosphane has a molecular weight of 608.33 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for gold(1+);trifluoromethanesulfonate;triphenylphosphane is sourced from PubChem (CID 15367309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).