chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;1-fluoro-2-fluorosulfinyloxybenzene-6-ide

C26H36AuClF2NO2PS — CID 178116893

IUPACchlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;1-fluoro-2-fluorosulfinyloxybenzene-6-ide
SMILESCN(C)c1ccccc1[PH+](C1CCCCC1)C1CCCCC1.Cl[Au].O=S(F)Oc1ccc[c-]c1F
InChIInChI=1S/C20H32NP.C6H3F2O2S.Au.ClH/c1-21(2)19-15-9-10-16-20(19)22(17-11-5-3-6-12-17)18-13-7-4-8-14-18;7-5-3-1-2-4-6(5)10-11(8)9;;/h9-10,15-18H,3-8,11-14H2,1-2H3;1-2,4H;;1H/q;-1;+1;
InChIKeyQVTBFXPHBLZKNH-UHFFFAOYSA-N
MW728.04 g/mol
LogP7.50
Rot. Bonds6

About chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;1-fluoro-2-fluorosulfinyloxybenzene-6-ide

chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;1-fluoro-2-fluorosulfinyloxybenzene-6-ide (PubChem CID 178116893) has the molecular formula C26H36AuClF2NO2PS and a molecular weight of 728.04 g/mol. Its IUPAC name is chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;1-fluoro-2-fluorosulfinyloxybenzene-6-ide.

Molecular Properties

Compound Namechlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;1-fluoro-2-fluorosulfinyloxybenzene-6-ide
PubChem CID178116893
Molecular FormulaC26H36AuClF2NO2PS
Molecular Weight728.04 g/mol
Exact Mass727.15
IUPAC Namechlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;1-fluoro-2-fluorosulfinyloxybenzene-6-ide
SMILESCN(C)c1ccccc1[PH+](C1CCCCC1)C1CCCCC1.Cl[Au].O=S(F)Oc1ccc[c-]c1F
InChIInChI=1S/C20H32NP.C6H3F2O2S.Au.ClH/c1-21(2)19-15-9-10-16-20(19)22(17-11-5-3-6-12-17)18-13-7-4-8-14-18;7-5-3-1-2-4-6(5)10-11(8)9;;/h9-10,15-18H,3-8,11-14H2,1-2H3;1-2,4H;;1H/q;-1;+1;
InChIKeyQVTBFXPHBLZKNH-UHFFFAOYSA-N
XLogP7.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.04
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium
CID 177915329
Chloro-[dicyclohexyl-[2-(dimethylamino)phenyl]-lambda5-phosphanylidene]gold;1-fluoro-2-fluorosulfonyloxybenzene-6-ide
CID 177915461
Chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;2-fluoro-1-fluorosulfonyloxy-4-methylbenzene-5-ide
CID 178116888
Chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;1-fluorosulfinyloxy-2-methoxybenzene-5-ide
CID 178116897
Chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;1-fluoro-2-fluorosulfonyloxybenzene-5-ide
CID 178116905
chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;5-fluorosulfinyloxy-2H-pyridin-2-ide
CID 178116909
Chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2-methoxybenzene-4-id-1-yl)oxy thiohypofluorite
CID 178116944
Dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2-fluorobenzene-5-id-1-yl)oxy thiohypofluorite;gold
CID 178116947
Chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2,3-difluorobenzene-4-id-1-yl)oxy thiohypofluorite
CID 178116949
Chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;fluorosulfonyloxybenzene
CID 178116951
Chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;fluorosulfonyloxybenzene
CID 178116958
Chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;fluorosulfonyloxybenzene
CID 178116965

Frequently Asked Questions

What is the IUPAC name of chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;1-fluoro-2-fluorosulfinyloxybenzene-6-ide?
The IUPAC name of chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;1-fluoro-2-fluorosulfinyloxybenzene-6-ide (CID 178116893) is chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;1-fluoro-2-fluorosulfinyloxybenzene-6-ide.
What is the SMILES notation for chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;1-fluoro-2-fluorosulfinyloxybenzene-6-ide?
The canonical SMILES for chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;1-fluoro-2-fluorosulfinyloxybenzene-6-ide is CN(C)c1ccccc1[PH+](C1CCCCC1)C1CCCCC1.Cl[Au].O=S(F)Oc1ccc[c-]c1F.
What is the InChIKey of chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;1-fluoro-2-fluorosulfinyloxybenzene-6-ide?
The InChIKey is QVTBFXPHBLZKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32NP.C6H3F2O2S.Au.ClH/c1-21(2)19-15-9-10-16-20(19)22(17-11-5-3-6-12-17)18-13-7-4-8-14-18;7-5-3-1-2-4-6(5)10-11(8)9;;/h9-10,15-18H,3-8,11-14H2,1-2H3;1-2,4H;;1H/q;-1;+1;.
What are the key properties of chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;1-fluoro-2-fluorosulfinyloxybenzene-6-ide?
chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;1-fluoro-2-fluorosulfinyloxybenzene-6-ide has a molecular weight of 728.04 g/mol, XLogP of 7.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;1-fluoro-2-fluorosulfinyloxybenzene-6-ide is sourced from PubChem (CID 178116893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).