[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-triphenylphosphanium

C28H24FNOP+ — CID 18972680

IUPAC[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-triphenylphosphanium
SMILESO=C1C([P+](c2ccccc2)(c2ccccc2)c2ccccc2)CCN1c1ccccc1F
InChIInChI=1S/C28H24FNOP/c29-25-18-10-11-19-26(25)30-21-20-27(28(30)31)32(22-12-4-1-5-13-22,23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1-19,27H,20-21H2/q+1
InChIKeyUXBNYQBZSYLOMF-UHFFFAOYSA-N
MW440.48 g/mol
LogP4.93
Rot. Bonds5

About [1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-triphenylphosphanium

[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-triphenylphosphanium (PubChem CID 18972680) has the molecular formula C28H24FNOP+ and a molecular weight of 440.48 g/mol. Its IUPAC name is [1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-triphenylphosphanium.

Molecular Properties

Compound Name[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-triphenylphosphanium
PubChem CID18972680
Molecular FormulaC28H24FNOP+
Molecular Weight440.48 g/mol
Exact Mass440.16
IUPAC Name[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-triphenylphosphanium
SMILESO=C1C([P+](c2ccccc2)(c2ccccc2)c2ccccc2)CCN1c1ccccc1F
InChIInChI=1S/C28H24FNOP/c29-25-18-10-11-19-26(25)30-21-20-27(28(30)31)32(22-12-4-1-5-13-22,23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1-19,27H,20-21H2/q+1
InChIKeyUXBNYQBZSYLOMF-UHFFFAOYSA-N
XLogP4.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 54.93
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

(1-hydroxy-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide
CID 11797445
[1-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-2-oxopyrrolidin-3-yl]-triphenylphosphanium bromide
CID 18978767
(1-cyclopropyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide
CID 10719020
(1-tert-butyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide
CID 22403727
3-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-methyl-3-oxopropanoic acid
CID 122065578
[1-(3-nitrophenyl)-2-oxopyrrolidin-3-yl]-triphenylphosphanium bromide
CID 10602672
[1-(2,2-diphenyl-1,3-benzodioxol-5-yl)-2-oxopyrrolidin-3-yl]-triphenylphosphanium
CID 18978884
3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
CID 129414901
[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-2-oxopyrrolidin-3-yl]-triphenylphosphanium bromide
CID 18978728
(1-cyclopropyl-2-oxopiperidin-3-yl)-triphenylphosphanium bromide
CID 22403717
3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2-fluorophenyl)pyrrolidin-2-one
CID 120760329
2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 119324605

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-triphenylphosphanium?
The IUPAC name of [1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-triphenylphosphanium (CID 18972680) is [1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-triphenylphosphanium.
What is the SMILES notation for [1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-triphenylphosphanium?
The canonical SMILES for [1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-triphenylphosphanium is O=C1C([P+](c2ccccc2)(c2ccccc2)c2ccccc2)CCN1c1ccccc1F.
What is the InChIKey of [1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-triphenylphosphanium?
The InChIKey is UXBNYQBZSYLOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FNOP/c29-25-18-10-11-19-26(25)30-21-20-27(28(30)31)32(22-12-4-1-5-13-22,23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1-19,27H,20-21H2/q+1.
What are the key properties of [1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-triphenylphosphanium?
[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-triphenylphosphanium has a molecular weight of 440.48 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-triphenylphosphanium is sourced from PubChem (CID 18972680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).