benzyl-(2-fluorophenyl)-diphenylphosphanium

C25H21FP+ — CID 175757872

IUPACbenzyl-(2-fluorophenyl)-diphenylphosphanium
SMILES[18F]c1ccccc1[P+](Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H21FP/c26-24-18-10-11-19-25(24)27(22-14-6-2-7-15-22,23-16-8-3-9-17-23)20-21-12-4-1-5-13-21/h1-19H,20H2/q+1/i26-1
InChIKeyGPGIWNZTNXAGCL-KPVNRNJOSA-N
MW370.42 g/mol
LogP5.32
Rot. Bonds5

About benzyl-(2-fluorophenyl)-diphenylphosphanium

benzyl-(2-fluorophenyl)-diphenylphosphanium (PubChem CID 175757872) has the molecular formula C25H21FP+ and a molecular weight of 370.42 g/mol. Its IUPAC name is benzyl-(2-fluorophenyl)-diphenylphosphanium.

Molecular Properties

Compound Namebenzyl-(2-fluorophenyl)-diphenylphosphanium
PubChem CID175757872
Molecular FormulaC25H21FP+
Molecular Weight370.42 g/mol
Exact Mass370.14
IUPAC Namebenzyl-(2-fluorophenyl)-diphenylphosphanium
SMILES[18F]c1ccccc1[P+](Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H21FP/c26-24-18-10-11-19-25(24)27(22-14-6-2-7-15-22,23-16-8-3-9-17-23)20-21-12-4-1-5-13-21/h1-19H,20H2/q+1/i26-1
InChIKeyGPGIWNZTNXAGCL-KPVNRNJOSA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.42
LogP ≤ 55.32
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

(2-fluorophenyl)-(iodomethyl)-diphenylphosphanium iodide
CID 87740187
bis(benzyl(triphenyl)phosphanium) dichloride
CID 161237104
arsane;benzyl(triphenyl)phosphanium;chloride
CID 174558543
benzyl(triphenyl)phosphanium;phosphane;iodide
CID 174958037
benzyl(triphenyl)phosphanium;manganese(2+);dichloride
CID 175569574
benzyl-[2-[2-(4-fluorophenyl)ethyl]phenyl]-diphenylphosphanium
CID 172713249
benzyl-(2-methoxyphenyl)-diphenylphosphanium hexafluorophosphate
CID 174642384
(2-bromophenyl)-[(3-fluorophenyl)methyl]-diphenylphosphanium
CID 87488670
benzyl(triphenyl)phosphanium phenoxide
CID 18469640
benzyl(triphenyl)phosphanium;triphenylphosphane
CID 90751570
triphenyl-[(3,4,5-trifluorophenyl)methyl]phosphanium bromide
CID 22385338
benzyl-diphenyl-[2-[4-(trifluoromethyl)phenyl]phenyl]phosphanium bromide
CID 87952669

Frequently Asked Questions

What is the IUPAC name of benzyl-(2-fluorophenyl)-diphenylphosphanium?
The IUPAC name of benzyl-(2-fluorophenyl)-diphenylphosphanium (CID 175757872) is benzyl-(2-fluorophenyl)-diphenylphosphanium.
What is the SMILES notation for benzyl-(2-fluorophenyl)-diphenylphosphanium?
The canonical SMILES for benzyl-(2-fluorophenyl)-diphenylphosphanium is [18F]c1ccccc1[P+](Cc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of benzyl-(2-fluorophenyl)-diphenylphosphanium?
The InChIKey is GPGIWNZTNXAGCL-KPVNRNJOSA-N. The full InChI is InChI=1S/C25H21FP/c26-24-18-10-11-19-25(24)27(22-14-6-2-7-15-22,23-16-8-3-9-17-23)20-21-12-4-1-5-13-21/h1-19H,20H2/q+1/i26-1.
What are the key properties of benzyl-(2-fluorophenyl)-diphenylphosphanium?
benzyl-(2-fluorophenyl)-diphenylphosphanium has a molecular weight of 370.42 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-(2-fluorophenyl)-diphenylphosphanium is sourced from PubChem (CID 175757872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).