[2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-triphenylphosphanium

C30H26F3NOP+ — CID 18978831

IUPAC[2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-triphenylphosphanium
SMILESO=C1C([P+](c2ccccc2)(c2ccccc2)c2ccccc2)CCN1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C30H26F3NOP/c31-30(32,33)24-18-16-23(17-19-24)22-34-21-20-28(29(34)35)36(25-10-4-1-5-11-25,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-19,28H,20-22H2/q+1
InChIKeyWEIDSWFHRREEQA-UHFFFAOYSA-N
MW504.51 g/mol
LogP5.80
Rot. Bonds6

About [2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-triphenylphosphanium

[2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-triphenylphosphanium (PubChem CID 18978831) has the molecular formula C30H26F3NOP+ and a molecular weight of 504.51 g/mol. Its IUPAC name is [2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-triphenylphosphanium.

Molecular Properties

Compound Name[2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-triphenylphosphanium
PubChem CID18978831
Molecular FormulaC30H26F3NOP+
Molecular Weight504.51 g/mol
Exact Mass504.17
IUPAC Name[2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-triphenylphosphanium
SMILESO=C1C([P+](c2ccccc2)(c2ccccc2)c2ccccc2)CCN1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C30H26F3NOP/c31-30(32,33)24-18-16-23(17-19-24)22-34-21-20-28(29(34)35)36(25-10-4-1-5-11-25,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-19,28H,20-22H2/q+1
InChIKeyWEIDSWFHRREEQA-UHFFFAOYSA-N
XLogP5.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.51
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-triphenylphosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-triphenylphosphanium?
The IUPAC name of [2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-triphenylphosphanium (CID 18978831) is [2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-triphenylphosphanium.
What is the SMILES notation for [2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-triphenylphosphanium?
The canonical SMILES for [2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-triphenylphosphanium is O=C1C([P+](c2ccccc2)(c2ccccc2)c2ccccc2)CCN1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of [2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-triphenylphosphanium?
The InChIKey is WEIDSWFHRREEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F3NOP/c31-30(32,33)24-18-16-23(17-19-24)22-34-21-20-28(29(34)35)36(25-10-4-1-5-11-25,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-19,28H,20-22H2/q+1.
What are the key properties of [2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-triphenylphosphanium?
[2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-triphenylphosphanium has a molecular weight of 504.51 g/mol, XLogP of 5.80, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-triphenylphosphanium is sourced from PubChem (CID 18978831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).