[3-acetyl-4-[2-(4-fluorophenyl)ethyl]phenyl]methyl-trimethylphosphanium

C20H25FOP+ — CID 59117362

IUPAC[3-acetyl-4-[2-(4-fluorophenyl)ethyl]phenyl]methyl-trimethylphosphanium
SMILESCC(=O)c1cc(C[P+](C)(C)C)ccc1CCc1ccc(F)cc1
InChIInChI=1S/C20H25FOP/c1-15(22)20-13-17(14-23(2,3)4)6-10-18(20)9-5-16-7-11-19(21)12-8-16/h6-8,10-13H,5,9,14H2,1-4H3/q+1
InChIKeyGVAKVIWMGNDJMU-UHFFFAOYSA-N
MW331.39 g/mol
LogP5.22
Rot. Bonds6

About [3-acetyl-4-[2-(4-fluorophenyl)ethyl]phenyl]methyl-trimethylphosphanium

[3-acetyl-4-[2-(4-fluorophenyl)ethyl]phenyl]methyl-trimethylphosphanium (PubChem CID 59117362) has the molecular formula C20H25FOP+ and a molecular weight of 331.39 g/mol. Its IUPAC name is [3-acetyl-4-[2-(4-fluorophenyl)ethyl]phenyl]methyl-trimethylphosphanium.

Molecular Properties

Compound Name[3-acetyl-4-[2-(4-fluorophenyl)ethyl]phenyl]methyl-trimethylphosphanium
PubChem CID59117362
Molecular FormulaC20H25FOP+
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC Name[3-acetyl-4-[2-(4-fluorophenyl)ethyl]phenyl]methyl-trimethylphosphanium
SMILESCC(=O)c1cc(C[P+](C)(C)C)ccc1CCc1ccc(F)cc1
InChIInChI=1S/C20H25FOP/c1-15(22)20-13-17(14-23(2,3)4)6-10-18(20)9-5-16-7-11-19(21)12-8-16/h6-8,10-13H,5,9,14H2,1-4H3/q+1
InChIKeyGVAKVIWMGNDJMU-UHFFFAOYSA-N
XLogP5.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.39
LogP ≤ 55.22
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

methyl 5-(bromomethyl)-2-[2-(4-fluorophenyl)ethyl]benzoate
CID 18474623
2-[2-(4-fluorophenyl)ethyl]benzoic acid
CID 22015801
1-[5-[(4-fluorophenyl)methyl]-2-hydroxyphenyl]ethanone
CID 70901994
1-[2-(2-aminoethyl)-5-ethylphenyl]ethanone
CID 143344931
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2-phenylethyl)benzamide
CID 94019464
4-[2-(4-fluorophenyl)ethyl]benzene-1,2,3-triol
CID 46195675
3-bromo-4-(4-fluorophenyl)butan-2-one
CID 62395510
1-(4-fluorophenyl)butane-2,3-dione
CID 83696223
3-(4-fluorophenyl)-N-(1-hydroxypropan-2-yl)propanamide
CID 43418758
2-[2-(4-fluorophenyl)ethylcarbamoyl]-3-methylbutanoic acid
CID 115186267
4-[(4-fluorophenyl)methyl]-5-methylhexan-2-one
CID 165032071
2-(4-fluorophenyl)-N-(3-methyl-2-oxobutyl)acetamide
CID 64996810

Frequently Asked Questions

What is the IUPAC name of [3-acetyl-4-[2-(4-fluorophenyl)ethyl]phenyl]methyl-trimethylphosphanium?
The IUPAC name of [3-acetyl-4-[2-(4-fluorophenyl)ethyl]phenyl]methyl-trimethylphosphanium (CID 59117362) is [3-acetyl-4-[2-(4-fluorophenyl)ethyl]phenyl]methyl-trimethylphosphanium.
What is the SMILES notation for [3-acetyl-4-[2-(4-fluorophenyl)ethyl]phenyl]methyl-trimethylphosphanium?
The canonical SMILES for [3-acetyl-4-[2-(4-fluorophenyl)ethyl]phenyl]methyl-trimethylphosphanium is CC(=O)c1cc(C[P+](C)(C)C)ccc1CCc1ccc(F)cc1.
What is the InChIKey of [3-acetyl-4-[2-(4-fluorophenyl)ethyl]phenyl]methyl-trimethylphosphanium?
The InChIKey is GVAKVIWMGNDJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FOP/c1-15(22)20-13-17(14-23(2,3)4)6-10-18(20)9-5-16-7-11-19(21)12-8-16/h6-8,10-13H,5,9,14H2,1-4H3/q+1.
What are the key properties of [3-acetyl-4-[2-(4-fluorophenyl)ethyl]phenyl]methyl-trimethylphosphanium?
[3-acetyl-4-[2-(4-fluorophenyl)ethyl]phenyl]methyl-trimethylphosphanium has a molecular weight of 331.39 g/mol, XLogP of 5.22, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-acetyl-4-[2-(4-fluorophenyl)ethyl]phenyl]methyl-trimethylphosphanium is sourced from PubChem (CID 59117362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).