gold(3+);2,2,3-tris(2,3,4,5,6-pentafluorophenyl)thiolane

C22H5AuF15S+3 — CID 160873323

IUPACgold(3+);2,2,3-tris(2,3,4,5,6-pentafluorophenyl)thiolane
SMILESFc1c(F)c(F)c(C2CCSC2(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.[Au+3]
InChIInChI=1S/C22H5F15S.Au/c23-7-4(8(24)14(30)19(35)13(7)29)3-1-2-38-22(3,5-9(25)15(31)20(36)16(32)10(5)26)6-11(27)17(33)21(37)18(34)12(6)28;/h3H,1-2H2;/q;+3
InChIKeySMAWKODOYPRMOL-UHFFFAOYSA-N
MW783.29 g/mol
LogP7.93
Rot. Bonds3

About gold(3+);2,2,3-tris(2,3,4,5,6-pentafluorophenyl)thiolane

gold(3+);2,2,3-tris(2,3,4,5,6-pentafluorophenyl)thiolane (PubChem CID 160873323) has the molecular formula C22H5AuF15S+3 and a molecular weight of 783.29 g/mol. Its IUPAC name is gold(3+);2,2,3-tris(2,3,4,5,6-pentafluorophenyl)thiolane.

Molecular Properties

Compound Namegold(3+);2,2,3-tris(2,3,4,5,6-pentafluorophenyl)thiolane
PubChem CID160873323
Molecular FormulaC22H5AuF15S+3
Molecular Weight783.29 g/mol
Exact Mass782.95
IUPAC Namegold(3+);2,2,3-tris(2,3,4,5,6-pentafluorophenyl)thiolane
SMILESFc1c(F)c(F)c(C2CCSC2(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.[Au+3]
InChIInChI=1S/C22H5F15S.Au/c23-7-4(8(24)14(30)19(35)13(7)29)3-1-2-38-22(3,5-9(25)15(31)20(36)16(32)10(5)26)6-11(27)17(33)21(37)18(34)12(6)28;/h3H,1-2H2;/q;+3
InChIKeySMAWKODOYPRMOL-UHFFFAOYSA-N
XLogP7.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.29
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of gold(3+);2,2,3-tris(2,3,4,5,6-pentafluorophenyl)thiolane?
The IUPAC name of gold(3+);2,2,3-tris(2,3,4,5,6-pentafluorophenyl)thiolane (CID 160873323) is gold(3+);2,2,3-tris(2,3,4,5,6-pentafluorophenyl)thiolane.
What is the SMILES notation for gold(3+);2,2,3-tris(2,3,4,5,6-pentafluorophenyl)thiolane?
The canonical SMILES for gold(3+);2,2,3-tris(2,3,4,5,6-pentafluorophenyl)thiolane is Fc1c(F)c(F)c(C2CCSC2(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.[Au+3].
What is the InChIKey of gold(3+);2,2,3-tris(2,3,4,5,6-pentafluorophenyl)thiolane?
The InChIKey is SMAWKODOYPRMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H5F15S.Au/c23-7-4(8(24)14(30)19(35)13(7)29)3-1-2-38-22(3,5-9(25)15(31)20(36)16(32)10(5)26)6-11(27)17(33)21(37)18(34)12(6)28;/h3H,1-2H2;/q;+3.
What are the key properties of gold(3+);2,2,3-tris(2,3,4,5,6-pentafluorophenyl)thiolane?
gold(3+);2,2,3-tris(2,3,4,5,6-pentafluorophenyl)thiolane has a molecular weight of 783.29 g/mol, XLogP of 7.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for gold(3+);2,2,3-tris(2,3,4,5,6-pentafluorophenyl)thiolane is sourced from PubChem (CID 160873323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).