bis(2-benzylphenoxy)-fluorophosphane

C26H22FO2P — CID 54155008

IUPACbis(2-benzylphenoxy)-fluorophosphane
SMILESFP(Oc1ccccc1Cc1ccccc1)Oc1ccccc1Cc1ccccc1
InChIInChI=1S/C26H22FO2P/c27-30(28-25-17-9-7-15-23(25)19-21-11-3-1-4-12-21)29-26-18-10-8-16-24(26)20-22-13-5-2-6-14-22/h1-18H,19-20H2
InChIKeyOKKMESRQFITSDC-UHFFFAOYSA-N
MW416.43 g/mol
LogP7.52
Rot. Bonds8

About bis(2-benzylphenoxy)-fluorophosphane

bis(2-benzylphenoxy)-fluorophosphane (PubChem CID 54155008) has the molecular formula C26H22FO2P and a molecular weight of 416.43 g/mol. Its IUPAC name is bis(2-benzylphenoxy)-fluorophosphane.

Molecular Properties

Compound Namebis(2-benzylphenoxy)-fluorophosphane
PubChem CID54155008
Molecular FormulaC26H22FO2P
Molecular Weight416.43 g/mol
Exact Mass416.13
IUPAC Namebis(2-benzylphenoxy)-fluorophosphane
SMILESFP(Oc1ccccc1Cc1ccccc1)Oc1ccccc1Cc1ccccc1
InChIInChI=1S/C26H22FO2P/c27-30(28-25-17-9-7-15-23(25)19-21-11-3-1-4-12-21)29-26-18-10-8-16-24(26)20-22-13-5-2-6-14-22/h1-18H,19-20H2
InChIKeyOKKMESRQFITSDC-UHFFFAOYSA-N
XLogP7.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.43
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2-benzylphenoxy)-fluorophosphane?
The IUPAC name of bis(2-benzylphenoxy)-fluorophosphane (CID 54155008) is bis(2-benzylphenoxy)-fluorophosphane.
What is the SMILES notation for bis(2-benzylphenoxy)-fluorophosphane?
The canonical SMILES for bis(2-benzylphenoxy)-fluorophosphane is FP(Oc1ccccc1Cc1ccccc1)Oc1ccccc1Cc1ccccc1.
What is the InChIKey of bis(2-benzylphenoxy)-fluorophosphane?
The InChIKey is OKKMESRQFITSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FO2P/c27-30(28-25-17-9-7-15-23(25)19-21-11-3-1-4-12-21)29-26-18-10-8-16-24(26)20-22-13-5-2-6-14-22/h1-18H,19-20H2.
What are the key properties of bis(2-benzylphenoxy)-fluorophosphane?
bis(2-benzylphenoxy)-fluorophosphane has a molecular weight of 416.43 g/mol, XLogP of 7.52, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-benzylphenoxy)-fluorophosphane is sourced from PubChem (CID 54155008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).