triphenyl(trifluoromethyl)phosphanium bromide

C19H15BrF3P — CID 175212392

IUPACtriphenyl(trifluoromethyl)phosphanium bromide
SMILESFC(F)(F)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C19H15F3P.BrH/c20-19(21,22)23(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15H;1H/q+1;/p-1
InChIKeyIEBJCIZGGDWUBS-UHFFFAOYSA-M
MW411.20 g/mol
LogP1.50
Rot. Bonds3

About triphenyl(trifluoromethyl)phosphanium bromide

triphenyl(trifluoromethyl)phosphanium bromide (PubChem CID 175212392) has the molecular formula C19H15BrF3P and a molecular weight of 411.20 g/mol. Its IUPAC name is triphenyl(trifluoromethyl)phosphanium bromide.

Molecular Properties

Compound Nametriphenyl(trifluoromethyl)phosphanium bromide
PubChem CID175212392
Molecular FormulaC19H15BrF3P
Molecular Weight411.20 g/mol
Exact Mass410.00
IUPAC Nametriphenyl(trifluoromethyl)phosphanium bromide
SMILESFC(F)(F)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C19H15F3P.BrH/c20-19(21,22)23(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15H;1H/q+1;/p-1
InChIKeyIEBJCIZGGDWUBS-UHFFFAOYSA-M
XLogP1.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.20
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triphenyl(trifluoromethyl)phosphanium bromide?
The IUPAC name of triphenyl(trifluoromethyl)phosphanium bromide (CID 175212392) is triphenyl(trifluoromethyl)phosphanium bromide.
What is the SMILES notation for triphenyl(trifluoromethyl)phosphanium bromide?
The canonical SMILES for triphenyl(trifluoromethyl)phosphanium bromide is FC(F)(F)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of triphenyl(trifluoromethyl)phosphanium bromide?
The InChIKey is IEBJCIZGGDWUBS-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H15F3P.BrH/c20-19(21,22)23(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15H;1H/q+1;/p-1.
What are the key properties of triphenyl(trifluoromethyl)phosphanium bromide?
triphenyl(trifluoromethyl)phosphanium bromide has a molecular weight of 411.20 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl(trifluoromethyl)phosphanium bromide is sourced from PubChem (CID 175212392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).