ethyl(triphenyl)phosphanium;trifluorocopper(1-)

C20H20CuF3P — CID 19429065

IUPACethyl(triphenyl)phosphanium;trifluorocopper(1-)
SMILESCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.F[Cu-](F)F
InChIInChI=1S/C20H20P.Cu.3FH/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;;;;/h3-17H,2H2,1H3;;3*1H/q+1;+2;;;/p-3
InChIKeyXSEIPHBLUKPGSZ-UHFFFAOYSA-K
MW411.89 g/mol
LogP5.26
Rot. Bonds4

About ethyl(triphenyl)phosphanium;trifluorocopper(1-)

ethyl(triphenyl)phosphanium;trifluorocopper(1-) (PubChem CID 19429065) has the molecular formula C20H20CuF3P and a molecular weight of 411.89 g/mol. Its IUPAC name is ethyl(triphenyl)phosphanium;trifluorocopper(1-).

Molecular Properties

Compound Nameethyl(triphenyl)phosphanium;trifluorocopper(1-)
PubChem CID19429065
Molecular FormulaC20H20CuF3P
Molecular Weight411.89 g/mol
Exact Mass411.06
IUPAC Nameethyl(triphenyl)phosphanium;trifluorocopper(1-)
SMILESCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.F[Cu-](F)F
InChIInChI=1S/C20H20P.Cu.3FH/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;;;;/h3-17H,2H2,1H3;;3*1H/q+1;+2;;;/p-3
InChIKeyXSEIPHBLUKPGSZ-UHFFFAOYSA-K
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.89
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl(triphenyl)phosphanium;trifluorocopper(1-)?
The IUPAC name of ethyl(triphenyl)phosphanium;trifluorocopper(1-) (CID 19429065) is ethyl(triphenyl)phosphanium;trifluorocopper(1-).
What is the SMILES notation for ethyl(triphenyl)phosphanium;trifluorocopper(1-)?
The canonical SMILES for ethyl(triphenyl)phosphanium;trifluorocopper(1-) is CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.F[Cu-](F)F.
What is the InChIKey of ethyl(triphenyl)phosphanium;trifluorocopper(1-)?
The InChIKey is XSEIPHBLUKPGSZ-UHFFFAOYSA-K. The full InChI is InChI=1S/C20H20P.Cu.3FH/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;;;;/h3-17H,2H2,1H3;;3*1H/q+1;+2;;;/p-3.
What are the key properties of ethyl(triphenyl)phosphanium;trifluorocopper(1-)?
ethyl(triphenyl)phosphanium;trifluorocopper(1-) has a molecular weight of 411.89 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(triphenyl)phosphanium;trifluorocopper(1-) is sourced from PubChem (CID 19429065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).