bis[4-(4-fluorophenyl)butoxy]-oxophosphanium

C20H24F2O3P+ — CID 70441200

IUPACbis[4-(4-fluorophenyl)butoxy]-oxophosphanium
SMILESO=[P+](OCCCCc1ccc(F)cc1)OCCCCc1ccc(F)cc1
InChIInChI=1S/C20H24F2O3P/c21-19-11-7-17(8-12-19)5-1-3-15-24-26(23)25-16-4-2-6-18-9-13-20(22)14-10-18/h7-14H,1-6,15-16H2/q+1
InChIKeyOJMWWJCSDLAANY-UHFFFAOYSA-N
MW381.38 g/mol
LogP6.00
Rot. Bonds12

About bis[4-(4-fluorophenyl)butoxy]-oxophosphanium

bis[4-(4-fluorophenyl)butoxy]-oxophosphanium (PubChem CID 70441200) has the molecular formula C20H24F2O3P+ and a molecular weight of 381.38 g/mol. Its IUPAC name is bis[4-(4-fluorophenyl)butoxy]-oxophosphanium.

Molecular Properties

Compound Namebis[4-(4-fluorophenyl)butoxy]-oxophosphanium
PubChem CID70441200
Molecular FormulaC20H24F2O3P+
Molecular Weight381.38 g/mol
Exact Mass381.14
IUPAC Namebis[4-(4-fluorophenyl)butoxy]-oxophosphanium
SMILESO=[P+](OCCCCc1ccc(F)cc1)OCCCCc1ccc(F)cc1
InChIInChI=1S/C20H24F2O3P/c21-19-11-7-17(8-12-19)5-1-3-15-24-26(23)25-16-4-2-6-18-9-13-20(22)14-10-18/h7-14H,1-6,15-16H2/q+1
InChIKeyOJMWWJCSDLAANY-UHFFFAOYSA-N
XLogP6.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.38
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis[4-(4-fluorophenyl)butoxy]-oxophosphanium?
The IUPAC name of bis[4-(4-fluorophenyl)butoxy]-oxophosphanium (CID 70441200) is bis[4-(4-fluorophenyl)butoxy]-oxophosphanium.
What is the SMILES notation for bis[4-(4-fluorophenyl)butoxy]-oxophosphanium?
The canonical SMILES for bis[4-(4-fluorophenyl)butoxy]-oxophosphanium is O=[P+](OCCCCc1ccc(F)cc1)OCCCCc1ccc(F)cc1.
What is the InChIKey of bis[4-(4-fluorophenyl)butoxy]-oxophosphanium?
The InChIKey is OJMWWJCSDLAANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2O3P/c21-19-11-7-17(8-12-19)5-1-3-15-24-26(23)25-16-4-2-6-18-9-13-20(22)14-10-18/h7-14H,1-6,15-16H2/q+1.
What are the key properties of bis[4-(4-fluorophenyl)butoxy]-oxophosphanium?
bis[4-(4-fluorophenyl)butoxy]-oxophosphanium has a molecular weight of 381.38 g/mol, XLogP of 6.00, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(4-fluorophenyl)butoxy]-oxophosphanium is sourced from PubChem (CID 70441200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).