[4-(2-fluoroethoxy)phenyl]-methyl-diphenylphosphanium;hydroiodide

C21H22FIOP+ — CID 159530112

IUPAC[4-(2-fluoroethoxy)phenyl]-methyl-diphenylphosphanium;hydroiodide
SMILESC[P+](c1ccccc1)(c1ccccc1)c1ccc(OCCF)cc1.I
InChIInChI=1S/C21H21FOP.HI/c1-24(19-8-4-2-5-9-19,20-10-6-3-7-11-20)21-14-12-18(13-15-21)23-17-16-22;/h2-15H,16-17H2,1H3;1H/q+1;
InChIKeyQMWRANPHLCWTKY-UHFFFAOYSA-N
MW467.28 g/mol
LogP4.58
Rot. Bonds6

About [4-(2-fluoroethoxy)phenyl]-methyl-diphenylphosphanium;hydroiodide

[4-(2-fluoroethoxy)phenyl]-methyl-diphenylphosphanium;hydroiodide (PubChem CID 159530112) has the molecular formula C21H22FIOP+ and a molecular weight of 467.28 g/mol. Its IUPAC name is [4-(2-fluoroethoxy)phenyl]-methyl-diphenylphosphanium;hydroiodide.

Molecular Properties

Compound Name[4-(2-fluoroethoxy)phenyl]-methyl-diphenylphosphanium;hydroiodide
PubChem CID159530112
Molecular FormulaC21H22FIOP+
Molecular Weight467.28 g/mol
Exact Mass467.04
IUPAC Name[4-(2-fluoroethoxy)phenyl]-methyl-diphenylphosphanium;hydroiodide
SMILESC[P+](c1ccccc1)(c1ccccc1)c1ccc(OCCF)cc1.I
InChIInChI=1S/C21H21FOP.HI/c1-24(19-8-4-2-5-9-19,20-10-6-3-7-11-20)21-14-12-18(13-15-21)23-17-16-22;/h2-15H,16-17H2,1H3;1H/q+1;
InChIKeyQMWRANPHLCWTKY-UHFFFAOYSA-N
XLogP4.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.28
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

benzyl-[4-(2-(18F)fluoroethoxy)phenyl]-diphenylphosphanium bromide
CID 162029575
1-[4-(2-fluoroethoxy)phenyl]ethanol
CID 80502586
(1S)-1-[4-(2-fluoroethoxy)phenyl]ethanamine
CID 80699771
ethane;1-(2-fluoroethoxy)-4-methylbenzene
CID 142309231
triphenyl-[4-(3-trimethoxysilylpropoxy)phenyl]phosphanium
CID 90351881
[4-(2-fluoroethoxy)phenyl]-diphenyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]phosphanium
CID 134222875
5-(2-fluoroethoxy)-2-propan-2-ylpyridine
CID 58448814
methyl(triphenyl)phosphanium;tetrafluoroalumanuide
CID 21264908
methyl(triphenyl)phosphanium hexafluorophosphate
CID 19831321
benzyl-[4-(2-fluoroethoxy)phenyl]-diphenylphosphanium;bromomethylbenzene;[4-(2-fluoroethoxy)phenyl]-diphenylphosphane;hydrobromide
CID 161261294
manganese(2+);methyl(triphenyl)phosphanium;dibromide
CID 175373163
2-bromo-1-[4-(2-fluoroethoxy)phenyl]propan-1-one
CID 102547206

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluoroethoxy)phenyl]-methyl-diphenylphosphanium;hydroiodide?
The IUPAC name of [4-(2-fluoroethoxy)phenyl]-methyl-diphenylphosphanium;hydroiodide (CID 159530112) is [4-(2-fluoroethoxy)phenyl]-methyl-diphenylphosphanium;hydroiodide.
What is the SMILES notation for [4-(2-fluoroethoxy)phenyl]-methyl-diphenylphosphanium;hydroiodide?
The canonical SMILES for [4-(2-fluoroethoxy)phenyl]-methyl-diphenylphosphanium;hydroiodide is C[P+](c1ccccc1)(c1ccccc1)c1ccc(OCCF)cc1.I.
What is the InChIKey of [4-(2-fluoroethoxy)phenyl]-methyl-diphenylphosphanium;hydroiodide?
The InChIKey is QMWRANPHLCWTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FOP.HI/c1-24(19-8-4-2-5-9-19,20-10-6-3-7-11-20)21-14-12-18(13-15-21)23-17-16-22;/h2-15H,16-17H2,1H3;1H/q+1;.
What are the key properties of [4-(2-fluoroethoxy)phenyl]-methyl-diphenylphosphanium;hydroiodide?
[4-(2-fluoroethoxy)phenyl]-methyl-diphenylphosphanium;hydroiodide has a molecular weight of 467.28 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluoroethoxy)phenyl]-methyl-diphenylphosphanium;hydroiodide is sourced from PubChem (CID 159530112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).