ethyl-(3-fluorophenyl)-diphenylphosphanium

C20H19FP+ — CID 174725265

IUPACethyl-(3-fluorophenyl)-diphenylphosphanium
SMILESCC[P+](c1ccccc1)(c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C20H19FP/c1-2-22(18-11-5-3-6-12-18,19-13-7-4-8-14-19)20-15-9-10-17(21)16-20/h3-16H,2H2,1H3/q+1
InChIKeyUDPFQRRECZTCDU-UHFFFAOYSA-N
MW309.34 g/mol
LogP4.14
Rot. Bonds4

About ethyl-(3-fluorophenyl)-diphenylphosphanium

ethyl-(3-fluorophenyl)-diphenylphosphanium (PubChem CID 174725265) has the molecular formula C20H19FP+ and a molecular weight of 309.34 g/mol. Its IUPAC name is ethyl-(3-fluorophenyl)-diphenylphosphanium.

Molecular Properties

Compound Nameethyl-(3-fluorophenyl)-diphenylphosphanium
PubChem CID174725265
Molecular FormulaC20H19FP+
Molecular Weight309.34 g/mol
Exact Mass309.12
IUPAC Nameethyl-(3-fluorophenyl)-diphenylphosphanium
SMILESCC[P+](c1ccccc1)(c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C20H19FP/c1-2-22(18-11-5-3-6-12-18,19-13-7-4-8-14-19)20-15-9-10-17(21)16-20/h3-16H,2H2,1H3/q+1
InChIKeyUDPFQRRECZTCDU-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl-(3-fluorophenyl)-diphenylphosphanium?
The IUPAC name of ethyl-(3-fluorophenyl)-diphenylphosphanium (CID 174725265) is ethyl-(3-fluorophenyl)-diphenylphosphanium.
What is the SMILES notation for ethyl-(3-fluorophenyl)-diphenylphosphanium?
The canonical SMILES for ethyl-(3-fluorophenyl)-diphenylphosphanium is CC[P+](c1ccccc1)(c1ccccc1)c1cccc(F)c1.
What is the InChIKey of ethyl-(3-fluorophenyl)-diphenylphosphanium?
The InChIKey is UDPFQRRECZTCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FP/c1-2-22(18-11-5-3-6-12-18,19-13-7-4-8-14-19)20-15-9-10-17(21)16-20/h3-16H,2H2,1H3/q+1.
What are the key properties of ethyl-(3-fluorophenyl)-diphenylphosphanium?
ethyl-(3-fluorophenyl)-diphenylphosphanium has a molecular weight of 309.34 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(3-fluorophenyl)-diphenylphosphanium is sourced from PubChem (CID 174725265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).