(4-fluoro-3-phenoxyphenyl)methyl-triphenylphosphanium

C31H25FOP+ — CID 19754847

IUPAC(4-fluoro-3-phenoxyphenyl)methyl-triphenylphosphanium
SMILESFc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1Oc1ccccc1
InChIInChI=1S/C31H25FOP/c32-30-22-21-25(23-31(30)33-26-13-5-1-6-14-26)24-34(27-15-7-2-8-16-27,28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-23H,24H2/q+1
InChIKeyWALPYYOGTUITEL-UHFFFAOYSA-N
MW463.51 g/mol
LogP7.11
Rot. Bonds7

About (4-fluoro-3-phenoxyphenyl)methyl-triphenylphosphanium

(4-fluoro-3-phenoxyphenyl)methyl-triphenylphosphanium (PubChem CID 19754847) has the molecular formula C31H25FOP+ and a molecular weight of 463.51 g/mol. Its IUPAC name is (4-fluoro-3-phenoxyphenyl)methyl-triphenylphosphanium.

Molecular Properties

Compound Name(4-fluoro-3-phenoxyphenyl)methyl-triphenylphosphanium
PubChem CID19754847
Molecular FormulaC31H25FOP+
Molecular Weight463.51 g/mol
Exact Mass463.16
IUPAC Name(4-fluoro-3-phenoxyphenyl)methyl-triphenylphosphanium
SMILESFc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1Oc1ccccc1
InChIInChI=1S/C31H25FOP/c32-30-22-21-25(23-31(30)33-26-13-5-1-6-14-26)24-34(27-15-7-2-8-16-27,28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-23H,24H2/q+1
InChIKeyWALPYYOGTUITEL-UHFFFAOYSA-N
XLogP7.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.51
LogP ≤ 57.11
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

(4-fluoro-3-methoxyphenyl)methyl-triphenylphosphanium bromide
CID 86613401
(3,4-difluorophenyl)methyl-triphenylphosphanium bromide
CID 10790485
2-(4-fluoro-3-phenoxyphenyl)ethanamine
CID 170887829
1-fluoro-2-phenoxy-4-prop-2-enylbenzene
CID 11075159
2-(4-fluoro-3-phenoxyphenyl)acetonitrile
CID 11172199
4-cyclopropyl-3-fluoro-1-(4-fluoro-3-phenoxyphenyl)but-3-en-2-ol
CID 141024524
cyclopropyl 2-fluoro-4-(4-fluoro-3-phenoxyphenyl)-3-hydroxy-2-methylbutanoate
CID 70013522
triphenyl-[[7-(triphenylphosphaniumylmethyl)naphthalen-2-yl]methyl]phosphanium
CID 11051135
1-[1-(4-chlorophenyl)cycloprop-2-en-1-yl]-3-(4-fluoro-3-phenoxyphenyl)propan-2-ol
CID 152746808
1-fluoro-4-methoxy-2-phenoxybenzene
CID 162127309
[3,4-bis(methoxymethoxy)phenyl]methyl-triphenylphosphanium
CID 22381105
methyl 4-(4-fluoro-3-phenoxyphenyl)butanoate
CID 150135778

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-phenoxyphenyl)methyl-triphenylphosphanium?
The IUPAC name of (4-fluoro-3-phenoxyphenyl)methyl-triphenylphosphanium (CID 19754847) is (4-fluoro-3-phenoxyphenyl)methyl-triphenylphosphanium.
What is the SMILES notation for (4-fluoro-3-phenoxyphenyl)methyl-triphenylphosphanium?
The canonical SMILES for (4-fluoro-3-phenoxyphenyl)methyl-triphenylphosphanium is Fc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1Oc1ccccc1.
What is the InChIKey of (4-fluoro-3-phenoxyphenyl)methyl-triphenylphosphanium?
The InChIKey is WALPYYOGTUITEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25FOP/c32-30-22-21-25(23-31(30)33-26-13-5-1-6-14-26)24-34(27-15-7-2-8-16-27,28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-23H,24H2/q+1.
What are the key properties of (4-fluoro-3-phenoxyphenyl)methyl-triphenylphosphanium?
(4-fluoro-3-phenoxyphenyl)methyl-triphenylphosphanium has a molecular weight of 463.51 g/mol, XLogP of 7.11, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-phenoxyphenyl)methyl-triphenylphosphanium is sourced from PubChem (CID 19754847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).