2-[fluoro(diphenyl)methyl]-1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium

C26H25FN+ — CID 134847045

IUPAC2-[fluoro(diphenyl)methyl]-1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium
SMILESFC(c1ccccc1)(c1ccccc1)C1CCC/[N+]1=C\C=C\c1ccccc1
InChIInChI=1S/C26H25FN/c27-26(23-15-6-2-7-16-23,24-17-8-3-9-18-24)25-19-11-21-28(25)20-10-14-22-12-4-1-5-13-22/h1-10,12-18,20,25H,11,19,21H2/q+1/b14-10+,28-20+
InChIKeyWGASSDYKIFNPOT-KFBANQBHSA-N
MW370.49 g/mol
LogP5.86
Rot. Bonds5

About 2-[fluoro(diphenyl)methyl]-1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium

2-[fluoro(diphenyl)methyl]-1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium (PubChem CID 134847045) has the molecular formula C26H25FN+ and a molecular weight of 370.49 g/mol. Its IUPAC name is 2-[fluoro(diphenyl)methyl]-1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium.

Molecular Properties

Compound Name2-[fluoro(diphenyl)methyl]-1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium
PubChem CID134847045
Molecular FormulaC26H25FN+
Molecular Weight370.49 g/mol
Exact Mass370.20
IUPAC Name2-[fluoro(diphenyl)methyl]-1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium
SMILESFC(c1ccccc1)(c1ccccc1)C1CCC/[N+]1=C\C=C\c1ccccc1
InChIInChI=1S/C26H25FN/c27-26(23-15-6-2-7-16-23,24-17-8-3-9-18-24)25-19-11-21-28(25)20-10-14-22-12-4-1-5-13-22/h1-10,12-18,20,25H,11,19,21H2/q+1/b14-10+,28-20+
InChIKeyWGASSDYKIFNPOT-KFBANQBHSA-N
XLogP5.86
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.49
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-(1,3-Diphenylpropan-2-yl)pyrrolidine
CID 91032406
(2R)-2-[fluoro(diphenyl)methyl]-1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium
CID 102507555
(2S,3R,4S,5S)-2-cyclohexyl-3-fluoro-1,5-dimethyl-4-phenylpyrrolidine
CID 135011598
(2S)-2-[(1R)-1,2-difluoro-2,2-diphenylethyl]-1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium
CID 135029429
(2S)-2-[fluoro(diphenyl)methyl]-1-methylpyrrolidine
CID 135030018
(E)-N-benzhydryl-3-phenylprop-2-en-1-imine
CID 10735426
1-(Cyclohexylmethyl)-2-methyl-4,4-diphenylpyrrolidine
CID 51032354
(2R,3R)-2-[(E)-2-(3-fluorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine
CID 18632071
(2R,3R)-2-[(E)-2-(2-fluorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine
CID 18632075
(2R,3R)-2-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine
CID 18632077
(2R,3R)-2-[2-(4-fluorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine
CID 53885658
(2R,3R)-2-[2-(3-fluorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine
CID 54349337

Frequently Asked Questions

What is the IUPAC name of 2-[fluoro(diphenyl)methyl]-1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium?
The IUPAC name of 2-[fluoro(diphenyl)methyl]-1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium (CID 134847045) is 2-[fluoro(diphenyl)methyl]-1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium.
What is the SMILES notation for 2-[fluoro(diphenyl)methyl]-1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium?
The canonical SMILES for 2-[fluoro(diphenyl)methyl]-1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium is FC(c1ccccc1)(c1ccccc1)C1CCC/[N+]1=C\C=C\c1ccccc1.
What is the InChIKey of 2-[fluoro(diphenyl)methyl]-1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium?
The InChIKey is WGASSDYKIFNPOT-KFBANQBHSA-N. The full InChI is InChI=1S/C26H25FN/c27-26(23-15-6-2-7-16-23,24-17-8-3-9-18-24)25-19-11-21-28(25)20-10-14-22-12-4-1-5-13-22/h1-10,12-18,20,25H,11,19,21H2/q+1/b14-10+,28-20+.
What are the key properties of 2-[fluoro(diphenyl)methyl]-1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium?
2-[fluoro(diphenyl)methyl]-1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium has a molecular weight of 370.49 g/mol, XLogP of 5.86, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro(diphenyl)methyl]-1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium is sourced from PubChem (CID 134847045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).