bis[(4-fluorophenyl)methyl]-phenylphosphane

C20H17F2P — CID 162409524

IUPACbis[(4-fluorophenyl)methyl]-phenylphosphane
SMILESFc1ccc(CP(Cc2ccc(F)cc2)c2ccccc2)cc1
InChIInChI=1S/C20H17F2P/c21-18-10-6-16(7-11-18)14-23(20-4-2-1-3-5-20)15-17-8-12-19(22)13-9-17/h1-13H,14-15H2
InChIKeyYWOIBNYYQNKBTI-UHFFFAOYSA-N
MW326.33 g/mol
LogP5.47
Rot. Bonds5

About bis[(4-fluorophenyl)methyl]-phenylphosphane

bis[(4-fluorophenyl)methyl]-phenylphosphane (PubChem CID 162409524) has the molecular formula C20H17F2P and a molecular weight of 326.33 g/mol. Its IUPAC name is bis[(4-fluorophenyl)methyl]-phenylphosphane.

Molecular Properties

Compound Namebis[(4-fluorophenyl)methyl]-phenylphosphane
PubChem CID162409524
Molecular FormulaC20H17F2P
Molecular Weight326.33 g/mol
Exact Mass326.10
IUPAC Namebis[(4-fluorophenyl)methyl]-phenylphosphane
SMILESFc1ccc(CP(Cc2ccc(F)cc2)c2ccccc2)cc1
InChIInChI=1S/C20H17F2P/c21-18-10-6-16(7-11-18)14-23(20-4-2-1-3-5-20)15-17-8-12-19(22)13-9-17/h1-13H,14-15H2
InChIKeyYWOIBNYYQNKBTI-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.33
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis[(4-fluorophenyl)methyl]-phenylphosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis[(4-fluorophenyl)methyl]-phenylphosphane?
The IUPAC name of bis[(4-fluorophenyl)methyl]-phenylphosphane (CID 162409524) is bis[(4-fluorophenyl)methyl]-phenylphosphane.
What is the SMILES notation for bis[(4-fluorophenyl)methyl]-phenylphosphane?
The canonical SMILES for bis[(4-fluorophenyl)methyl]-phenylphosphane is Fc1ccc(CP(Cc2ccc(F)cc2)c2ccccc2)cc1.
What is the InChIKey of bis[(4-fluorophenyl)methyl]-phenylphosphane?
The InChIKey is YWOIBNYYQNKBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2P/c21-18-10-6-16(7-11-18)14-23(20-4-2-1-3-5-20)15-17-8-12-19(22)13-9-17/h1-13H,14-15H2.
What are the key properties of bis[(4-fluorophenyl)methyl]-phenylphosphane?
bis[(4-fluorophenyl)methyl]-phenylphosphane has a molecular weight of 326.33 g/mol, XLogP of 5.47, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(4-fluorophenyl)methyl]-phenylphosphane is sourced from PubChem (CID 162409524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).