[2-(2-fluorophenyl)-1-phenylphosphanylethyl]-diphenylphosphane

C26H23FP2 — CID 87557108

IUPAC[2-(2-fluorophenyl)-1-phenylphosphanylethyl]-diphenylphosphane
SMILESFc1ccccc1CC(Pc1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H23FP2/c27-25-19-11-10-12-21(25)20-26(28-22-13-4-1-5-14-22)29(23-15-6-2-7-16-23)24-17-8-3-9-18-24/h1-19,26,28H,20H2
InChIKeyVBBAKHFADOPYLF-UHFFFAOYSA-N
MW416.42 g/mol
LogP5.83
Rot. Bonds7

About [2-(2-fluorophenyl)-1-phenylphosphanylethyl]-diphenylphosphane

[2-(2-fluorophenyl)-1-phenylphosphanylethyl]-diphenylphosphane (PubChem CID 87557108) has the molecular formula C26H23FP2 and a molecular weight of 416.42 g/mol. Its IUPAC name is [2-(2-fluorophenyl)-1-phenylphosphanylethyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-(2-fluorophenyl)-1-phenylphosphanylethyl]-diphenylphosphane
PubChem CID87557108
Molecular FormulaC26H23FP2
Molecular Weight416.42 g/mol
Exact Mass416.13
IUPAC Name[2-(2-fluorophenyl)-1-phenylphosphanylethyl]-diphenylphosphane
SMILESFc1ccccc1CC(Pc1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H23FP2/c27-25-19-11-10-12-21(25)20-26(28-22-13-4-1-5-14-22)29(23-15-6-2-7-16-23)24-17-8-3-9-18-24/h1-19,26,28H,20H2
InChIKeyVBBAKHFADOPYLF-UHFFFAOYSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.42
LogP ≤ 55.83
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 [2-(2-fluorophenyl)-1-phenylphosphanylethyl]-diphenylphosphane?
The IUPAC name of [2-(2-fluorophenyl)-1-phenylphosphanylethyl]-diphenylphosphane (CID 87557108) is [2-(2-fluorophenyl)-1-phenylphosphanylethyl]-diphenylphosphane.
What is the SMILES notation for [2-(2-fluorophenyl)-1-phenylphosphanylethyl]-diphenylphosphane?
The canonical SMILES for [2-(2-fluorophenyl)-1-phenylphosphanylethyl]-diphenylphosphane is Fc1ccccc1CC(Pc1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(2-fluorophenyl)-1-phenylphosphanylethyl]-diphenylphosphane?
The InChIKey is VBBAKHFADOPYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FP2/c27-25-19-11-10-12-21(25)20-26(28-22-13-4-1-5-14-22)29(23-15-6-2-7-16-23)24-17-8-3-9-18-24/h1-19,26,28H,20H2.
What are the key properties of [2-(2-fluorophenyl)-1-phenylphosphanylethyl]-diphenylphosphane?
[2-(2-fluorophenyl)-1-phenylphosphanylethyl]-diphenylphosphane has a molecular weight of 416.42 g/mol, XLogP of 5.83, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluorophenyl)-1-phenylphosphanylethyl]-diphenylphosphane is sourced from PubChem (CID 87557108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).