triphenyl-[[4-(trifluoromethoxy)phenyl]methyl]phosphanium bromide

C26H21BrF3OP — CID 22407658

IUPACtriphenyl-[[4-(trifluoromethoxy)phenyl]methyl]phosphanium bromide
SMILESFC(F)(F)Oc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Br-]
InChIInChI=1S/C26H21F3OP.BrH/c27-26(28,29)30-22-18-16-21(17-19-22)20-31(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25;/h1-19H,20H2;1H/q+1;/p-1
InChIKeyHZXSNZHLXQCHFE-UHFFFAOYSA-M
MW517.33 g/mol
LogP3.08
Rot. Bonds6

About triphenyl-[[4-(trifluoromethoxy)phenyl]methyl]phosphanium bromide

triphenyl-[[4-(trifluoromethoxy)phenyl]methyl]phosphanium bromide (PubChem CID 22407658) has the molecular formula C26H21BrF3OP and a molecular weight of 517.33 g/mol. Its IUPAC name is triphenyl-[[4-(trifluoromethoxy)phenyl]methyl]phosphanium bromide.

Molecular Properties

Compound Nametriphenyl-[[4-(trifluoromethoxy)phenyl]methyl]phosphanium bromide
PubChem CID22407658
Molecular FormulaC26H21BrF3OP
Molecular Weight517.33 g/mol
Exact Mass516.05
IUPAC Nametriphenyl-[[4-(trifluoromethoxy)phenyl]methyl]phosphanium bromide
SMILESFC(F)(F)Oc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Br-]
InChIInChI=1S/C26H21F3OP.BrH/c27-26(28,29)30-22-18-16-21(17-19-22)20-31(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25;/h1-19H,20H2;1H/q+1;/p-1
InChIKeyHZXSNZHLXQCHFE-UHFFFAOYSA-M
XLogP3.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.33
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

triphenyl-[[4-(trifluoromethoxy)phenyl]methyl]phosphanium
CID 10673816
(4-ethoxyphenyl)methyl-triphenylphosphanium bromide
CID 2724470
1-phenyl-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 62608696
1-(2-phenylethyl)-4-(trifluoromethoxy)benzene
CID 91341581
[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl-triphenylphosphanium
CID 172686491
[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl-triphenylphosphanium bromide
CID 10393091
[4-(2-fluoroethoxy)phenyl]-diphenyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]phosphanium
CID 134222875
bis(benzyl(triphenyl)phosphanium) dichloride
CID 161237104
(4-ethoxyphenyl)methyl-triphenylphosphanium;dihydrochloride
CID 174834857
[4-(4-phenoxybutoxy)phenyl]methyl-triphenylphosphanium chloride
CID 23124752
trifluoromethoxybenzene
CID 157402708
trifluoromethoxybenzene fluoride
CID 158305019

Frequently Asked Questions

What is the IUPAC name of triphenyl-[[4-(trifluoromethoxy)phenyl]methyl]phosphanium bromide?
The IUPAC name of triphenyl-[[4-(trifluoromethoxy)phenyl]methyl]phosphanium bromide (CID 22407658) is triphenyl-[[4-(trifluoromethoxy)phenyl]methyl]phosphanium bromide.
What is the SMILES notation for triphenyl-[[4-(trifluoromethoxy)phenyl]methyl]phosphanium bromide?
The canonical SMILES for triphenyl-[[4-(trifluoromethoxy)phenyl]methyl]phosphanium bromide is FC(F)(F)Oc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Br-].
What is the InChIKey of triphenyl-[[4-(trifluoromethoxy)phenyl]methyl]phosphanium bromide?
The InChIKey is HZXSNZHLXQCHFE-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H21F3OP.BrH/c27-26(28,29)30-22-18-16-21(17-19-22)20-31(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25;/h1-19H,20H2;1H/q+1;/p-1.
What are the key properties of triphenyl-[[4-(trifluoromethoxy)phenyl]methyl]phosphanium bromide?
triphenyl-[[4-(trifluoromethoxy)phenyl]methyl]phosphanium bromide has a molecular weight of 517.33 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[[4-(trifluoromethoxy)phenyl]methyl]phosphanium bromide is sourced from PubChem (CID 22407658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).