triphenyl-[(3,4,5-trifluorophenyl)methyl]phosphanium bromide

C25H19BrF3P — CID 22385338

IUPACtriphenyl-[(3,4,5-trifluorophenyl)methyl]phosphanium bromide
SMILESFc1cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc(F)c1F.[Br-]
InChIInChI=1S/C25H19F3P.BrH/c26-23-16-19(17-24(27)25(23)28)18-29(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22;/h1-17H,18H2;1H/q+1;/p-1
InChIKeyNSSBWRYRHZDYRH-UHFFFAOYSA-M
MW487.30 g/mol
LogP2.60
Rot. Bonds5

About triphenyl-[(3,4,5-trifluorophenyl)methyl]phosphanium bromide

triphenyl-[(3,4,5-trifluorophenyl)methyl]phosphanium bromide (PubChem CID 22385338) has the molecular formula C25H19BrF3P and a molecular weight of 487.30 g/mol. Its IUPAC name is triphenyl-[(3,4,5-trifluorophenyl)methyl]phosphanium bromide.

Molecular Properties

Compound Nametriphenyl-[(3,4,5-trifluorophenyl)methyl]phosphanium bromide
PubChem CID22385338
Molecular FormulaC25H19BrF3P
Molecular Weight487.30 g/mol
Exact Mass486.04
IUPAC Nametriphenyl-[(3,4,5-trifluorophenyl)methyl]phosphanium bromide
SMILESFc1cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc(F)c1F.[Br-]
InChIInChI=1S/C25H19F3P.BrH/c26-23-16-19(17-24(27)25(23)28)18-29(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22;/h1-17H,18H2;1H/q+1;/p-1
InChIKeyNSSBWRYRHZDYRH-UHFFFAOYSA-M
XLogP2.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.30
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(3,4-difluorophenyl)methyl-triphenylphosphanium bromide
CID 10790485
(4-fluoro-3-methoxyphenyl)methyl-triphenylphosphanium bromide
CID 86613401
bis(benzyl(triphenyl)phosphanium) dichloride
CID 161237104
benzyl(triphenyl)phosphanium;phosphane;iodide
CID 174958037
arsane;benzyl(triphenyl)phosphanium;chloride
CID 174558543
benzyl(triphenyl)phosphanium;manganese(2+);dichloride
CID 175569574
3-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenylmethyl(triphenyl)phosphanium
CID 88650870
benzyl-(2-fluorophenyl)-diphenylphosphanium
CID 175757872
(4-fluoro-3-phenoxyphenyl)methyl-triphenylphosphanium
CID 19754847
triphenyl-[[7-(triphenylphosphaniumylmethyl)naphthalen-2-yl]methyl]phosphanium
CID 11051135
(4-bromo-2-fluorophenyl)methyl-triphenylphosphanium bromide
CID 11114149
(3,5-dihydroxyphenyl)methyl-triphenylphosphanium;5-(hydroxymethyl)benzene-1,3-diol;methane;bromide
CID 162150916

Frequently Asked Questions

What is the IUPAC name of triphenyl-[(3,4,5-trifluorophenyl)methyl]phosphanium bromide?
The IUPAC name of triphenyl-[(3,4,5-trifluorophenyl)methyl]phosphanium bromide (CID 22385338) is triphenyl-[(3,4,5-trifluorophenyl)methyl]phosphanium bromide.
What is the SMILES notation for triphenyl-[(3,4,5-trifluorophenyl)methyl]phosphanium bromide?
The canonical SMILES for triphenyl-[(3,4,5-trifluorophenyl)methyl]phosphanium bromide is Fc1cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc(F)c1F.[Br-].
What is the InChIKey of triphenyl-[(3,4,5-trifluorophenyl)methyl]phosphanium bromide?
The InChIKey is NSSBWRYRHZDYRH-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H19F3P.BrH/c26-23-16-19(17-24(27)25(23)28)18-29(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22;/h1-17H,18H2;1H/q+1;/p-1.
What are the key properties of triphenyl-[(3,4,5-trifluorophenyl)methyl]phosphanium bromide?
triphenyl-[(3,4,5-trifluorophenyl)methyl]phosphanium bromide has a molecular weight of 487.30 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[(3,4,5-trifluorophenyl)methyl]phosphanium bromide is sourced from PubChem (CID 22385338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).