tris(1,3-bis(trifluoromethyl)benzene-5-ide);gold(3+)

C24H9AuF18 — CID 161274801

IUPACtris(1,3-bis(trifluoromethyl)benzene-5-ide);gold(3+)
SMILESFC(F)(F)c1c[c-]cc(C(F)(F)F)c1.FC(F)(F)c1c[c-]cc(C(F)(F)F)c1.FC(F)(F)c1c[c-]cc(C(F)(F)F)c1.[Au+3]
InChIInChI=1S/3C8H3F6.Au/c3*9-7(10,11)5-2-1-3-6(4-5)8(12,13)14;/h3*2-4H;/q3*-1;+3
InChIKeyBBRUKGSTYPCWFF-UHFFFAOYSA-N
MW836.27 g/mol
LogP10.57
Rot. Bonds

About tris(1,3-bis(trifluoromethyl)benzene-5-ide);gold(3+)

tris(1,3-bis(trifluoromethyl)benzene-5-ide);gold(3+) (PubChem CID 161274801) has the molecular formula C24H9AuF18 and a molecular weight of 836.27 g/mol. Its IUPAC name is tris(1,3-bis(trifluoromethyl)benzene-5-ide);gold(3+).

Molecular Properties

Compound Nametris(1,3-bis(trifluoromethyl)benzene-5-ide);gold(3+)
PubChem CID161274801
Molecular FormulaC24H9AuF18
Molecular Weight836.27 g/mol
Exact Mass836.01
IUPAC Nametris(1,3-bis(trifluoromethyl)benzene-5-ide);gold(3+)
SMILESFC(F)(F)c1c[c-]cc(C(F)(F)F)c1.FC(F)(F)c1c[c-]cc(C(F)(F)F)c1.FC(F)(F)c1c[c-]cc(C(F)(F)F)c1.[Au+3]
InChIInChI=1S/3C8H3F6.Au/c3*9-7(10,11)5-2-1-3-6(4-5)8(12,13)14;/h3*2-4H;/q3*-1;+3
InChIKeyBBRUKGSTYPCWFF-UHFFFAOYSA-N
XLogP10.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.27
LogP ≤ 510.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1,3-bis(trifluoromethyl)benzene-5-ide;palladium;bis(triphenylphosphane)
CID 87972373
1,3-ditert-butylbenzene-5-ide;yttrium
CID 156851219
lithium;boric acid;1-[1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propan-2-yl]-3-(trifluoromethyl)benzene-5-ide
CID 175237728
magnesium;1,3-ditert-butylbenzene-5-ide;iodide
CID 89428717
1-chloro-3,5-bis(trifluoromethyl)benzene
CID 2769405
trifluoromethylbenzene;zinc;hydrochloride
CID 87245768
sodium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;dihydrate
CID 140670256
1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene
CID 22975209
sodium;1,3-bis(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzene-5-ide;boric acid;trihydrate
CID 172710431
CID 87457276
CID 87457276
CID 10890130
CID 10890130
tris[3,5-bis(trifluoromethyl)phenyl]-[tris[3,5-bis(trifluoromethyl)phenyl]phosphaniumylmethyl]phosphanium
CID 132541300

Frequently Asked Questions

What is the IUPAC name of tris(1,3-bis(trifluoromethyl)benzene-5-ide);gold(3+)?
The IUPAC name of tris(1,3-bis(trifluoromethyl)benzene-5-ide);gold(3+) (CID 161274801) is tris(1,3-bis(trifluoromethyl)benzene-5-ide);gold(3+).
What is the SMILES notation for tris(1,3-bis(trifluoromethyl)benzene-5-ide);gold(3+)?
The canonical SMILES for tris(1,3-bis(trifluoromethyl)benzene-5-ide);gold(3+) is FC(F)(F)c1c[c-]cc(C(F)(F)F)c1.FC(F)(F)c1c[c-]cc(C(F)(F)F)c1.FC(F)(F)c1c[c-]cc(C(F)(F)F)c1.[Au+3].
What is the InChIKey of tris(1,3-bis(trifluoromethyl)benzene-5-ide);gold(3+)?
The InChIKey is BBRUKGSTYPCWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H3F6.Au/c3*9-7(10,11)5-2-1-3-6(4-5)8(12,13)14;/h3*2-4H;/q3*-1;+3.
What are the key properties of tris(1,3-bis(trifluoromethyl)benzene-5-ide);gold(3+)?
tris(1,3-bis(trifluoromethyl)benzene-5-ide);gold(3+) has a molecular weight of 836.27 g/mol, XLogP of 10.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1,3-bis(trifluoromethyl)benzene-5-ide);gold(3+) is sourced from PubChem (CID 161274801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).