[(Z)-2-fluoro-2-piperidin-1-ylethenyl]-triphenylphosphanium

C25H26FNP+ — CID 11295643

IUPAC[(Z)-2-fluoro-2-piperidin-1-ylethenyl]-triphenylphosphanium
SMILESF/C(=C\[P+](c1ccccc1)(c1ccccc1)c1ccccc1)N1CCCCC1
InChIInChI=1S/C25H26FNP/c26-25(27-19-11-4-12-20-27)21-28(22-13-5-1-6-14-22,23-15-7-2-8-16-23)24-17-9-3-10-18-24/h1-3,5-10,13-18,21H,4,11-12,19-20H2/q+1/b25-21+
InChIKeyDPVSWGJMEFPLAB-NJNXFGOHSA-N
MW390.46 g/mol
LogP5.23
Rot. Bonds5

About [(Z)-2-fluoro-2-piperidin-1-ylethenyl]-triphenylphosphanium

[(Z)-2-fluoro-2-piperidin-1-ylethenyl]-triphenylphosphanium (PubChem CID 11295643) has the molecular formula C25H26FNP+ and a molecular weight of 390.46 g/mol. Its IUPAC name is [(Z)-2-fluoro-2-piperidin-1-ylethenyl]-triphenylphosphanium.

Molecular Properties

Compound Name[(Z)-2-fluoro-2-piperidin-1-ylethenyl]-triphenylphosphanium
PubChem CID11295643
Molecular FormulaC25H26FNP+
Molecular Weight390.46 g/mol
Exact Mass390.18
IUPAC Name[(Z)-2-fluoro-2-piperidin-1-ylethenyl]-triphenylphosphanium
SMILESF/C(=C\[P+](c1ccccc1)(c1ccccc1)c1ccccc1)N1CCCCC1
InChIInChI=1S/C25H26FNP/c26-25(27-19-11-4-12-20-27)21-28(22-13-5-1-6-14-22,23-15-7-2-8-16-23)24-17-9-3-10-18-24/h1-3,5-10,13-18,21H,4,11-12,19-20H2/q+1/b25-21+
InChIKeyDPVSWGJMEFPLAB-NJNXFGOHSA-N
XLogP5.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.46
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Phosphonium, triphenyl(2-(1-pyrrolidinyl)ethyl)-, bromide (1:1)
CID 19085441
1-(2-Diphenylphosphorylethyl)piperidine
CID 1520897
Piperidine, 1-[(diphenylphosphinyl)methyl]-
CID 877747
1-(Diphenylphosphanyl)piperidine
CID 12589741
Bromo-triphenyl-(2-pyrrolidin-1-ylethyl)-lambda5-phosphane
CID 13019452
N,N-Dimethyl-3-(triphenyl-lambda~5~-phosphanylidene)propan-1-amine
CID 13509312
Phosphonium, [3-(dimethylamino)propyl]triphenyl-
CID 4186543
Triphenyl(2-pyrrolidin-1-ylethyl)phosphanium
CID 19085442
Triphenyl(2-pyrrolidin-1-ylethylidene)-lambda5-phosphane
CID 13380256
(2-Piperidinopropyl)triphenylphosphonium iodide
CID 14323062
Diphenyl-(piperidin-1-ylmethyl)-sulfanylidene-lambda5-phosphane
CID 23418229
[4-(Diethylamino)buta-1,3-dien-1-yl]triphenylphosphonium chloride
CID 129765665

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-fluoro-2-piperidin-1-ylethenyl]-triphenylphosphanium?
The IUPAC name of [(Z)-2-fluoro-2-piperidin-1-ylethenyl]-triphenylphosphanium (CID 11295643) is [(Z)-2-fluoro-2-piperidin-1-ylethenyl]-triphenylphosphanium.
What is the SMILES notation for [(Z)-2-fluoro-2-piperidin-1-ylethenyl]-triphenylphosphanium?
The canonical SMILES for [(Z)-2-fluoro-2-piperidin-1-ylethenyl]-triphenylphosphanium is F/C(=C\[P+](c1ccccc1)(c1ccccc1)c1ccccc1)N1CCCCC1.
What is the InChIKey of [(Z)-2-fluoro-2-piperidin-1-ylethenyl]-triphenylphosphanium?
The InChIKey is DPVSWGJMEFPLAB-NJNXFGOHSA-N. The full InChI is InChI=1S/C25H26FNP/c26-25(27-19-11-4-12-20-27)21-28(22-13-5-1-6-14-22,23-15-7-2-8-16-23)24-17-9-3-10-18-24/h1-3,5-10,13-18,21H,4,11-12,19-20H2/q+1/b25-21+.
What are the key properties of [(Z)-2-fluoro-2-piperidin-1-ylethenyl]-triphenylphosphanium?
[(Z)-2-fluoro-2-piperidin-1-ylethenyl]-triphenylphosphanium has a molecular weight of 390.46 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-fluoro-2-piperidin-1-ylethenyl]-triphenylphosphanium is sourced from PubChem (CID 11295643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).