benzyl-[2-[2-(4-fluorophenyl)ethyl]phenyl]-diphenylphosphanium

C33H29FP+ — CID 172713249

IUPACbenzyl-[2-[2-(4-fluorophenyl)ethyl]phenyl]-diphenylphosphanium
SMILESFc1ccc(CCc2ccccc2[P+](Cc2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C33H29FP/c34-30-24-21-27(22-25-30)20-23-29-14-10-11-19-33(29)35(31-15-6-2-7-16-31,32-17-8-3-9-18-32)26-28-12-4-1-5-13-28/h1-19,21-22,24-25H,20,23,26H2/q+1
InChIKeyNROGYODKVGXIIH-UHFFFAOYSA-N
MW475.57 g/mol
LogP7.11
Rot. Bonds8

About benzyl-[2-[2-(4-fluorophenyl)ethyl]phenyl]-diphenylphosphanium

benzyl-[2-[2-(4-fluorophenyl)ethyl]phenyl]-diphenylphosphanium (PubChem CID 172713249) has the molecular formula C33H29FP+ and a molecular weight of 475.57 g/mol. Its IUPAC name is benzyl-[2-[2-(4-fluorophenyl)ethyl]phenyl]-diphenylphosphanium.

Molecular Properties

Compound Namebenzyl-[2-[2-(4-fluorophenyl)ethyl]phenyl]-diphenylphosphanium
PubChem CID172713249
Molecular FormulaC33H29FP+
Molecular Weight475.57 g/mol
Exact Mass475.20
IUPAC Namebenzyl-[2-[2-(4-fluorophenyl)ethyl]phenyl]-diphenylphosphanium
SMILESFc1ccc(CCc2ccccc2[P+](Cc2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C33H29FP/c34-30-24-21-27(22-25-30)20-23-29-14-10-11-19-33(29)35(31-15-6-2-7-16-31,32-17-8-3-9-18-32)26-28-12-4-1-5-13-28/h1-19,21-22,24-25H,20,23,26H2/q+1
InChIKeyNROGYODKVGXIIH-UHFFFAOYSA-N
XLogP7.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.57
LogP ≤ 57.11
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

benzyl-(2-fluorophenyl)-diphenylphosphanium
CID 175757872
benzyl-(2-phenacylphenyl)-diphenylphosphanium
CID 174822007
bis(benzyl(triphenyl)phosphanium) dichloride
CID 161237104
benzyl-(2-methoxyphenyl)-diphenylphosphanium hexafluorophosphate
CID 174642384
arsane;benzyl(triphenyl)phosphanium;chloride
CID 174558543
benzyl(triphenyl)phosphanium;phosphane;iodide
CID 174958037
benzyl(triphenyl)phosphanium;manganese(2+);dichloride
CID 175569574
(2-bromophenyl)-[(3-fluorophenyl)methyl]-diphenylphosphanium
CID 87488670
triphenyl-[[2-(2-phenylethoxy)phenyl]methyl]phosphanium
CID 20764205
2-[2-(4-fluorophenyl)ethyl]benzoic acid
CID 22015801
4-fluoro-2-methyl-1-(2-phenylethyl)benzene
CID 90778447
1-fluoro-4-(2-methylpropyl)benzene;2-methylpropylbenzene
CID 145233135

Frequently Asked Questions

What is the IUPAC name of benzyl-[2-[2-(4-fluorophenyl)ethyl]phenyl]-diphenylphosphanium?
The IUPAC name of benzyl-[2-[2-(4-fluorophenyl)ethyl]phenyl]-diphenylphosphanium (CID 172713249) is benzyl-[2-[2-(4-fluorophenyl)ethyl]phenyl]-diphenylphosphanium.
What is the SMILES notation for benzyl-[2-[2-(4-fluorophenyl)ethyl]phenyl]-diphenylphosphanium?
The canonical SMILES for benzyl-[2-[2-(4-fluorophenyl)ethyl]phenyl]-diphenylphosphanium is Fc1ccc(CCc2ccccc2[P+](Cc2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of benzyl-[2-[2-(4-fluorophenyl)ethyl]phenyl]-diphenylphosphanium?
The InChIKey is NROGYODKVGXIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29FP/c34-30-24-21-27(22-25-30)20-23-29-14-10-11-19-33(29)35(31-15-6-2-7-16-31,32-17-8-3-9-18-32)26-28-12-4-1-5-13-28/h1-19,21-22,24-25H,20,23,26H2/q+1.
What are the key properties of benzyl-[2-[2-(4-fluorophenyl)ethyl]phenyl]-diphenylphosphanium?
benzyl-[2-[2-(4-fluorophenyl)ethyl]phenyl]-diphenylphosphanium has a molecular weight of 475.57 g/mol, XLogP of 7.11, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[2-[2-(4-fluorophenyl)ethyl]phenyl]-diphenylphosphanium is sourced from PubChem (CID 172713249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).