dichloro-tris(4-fluorophenyl)-λ5-phosphane

C18H12Cl2F3P — CID 22013252

IUPACdichloro-tris(4-fluorophenyl)-λ5-phosphane
SMILESFc1ccc(P(Cl)(Cl)(c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H12Cl2F3P/c19-24(20,16-7-1-13(21)2-8-16,17-9-3-14(22)4-10-17)18-11-5-15(23)6-12-18/h1-12H
InChIKeyZSTKLIMKRJIFKF-UHFFFAOYSA-N
MW387.17 g/mol
LogP5.24
Rot. Bonds3

About dichloro-tris(4-fluorophenyl)-λ5-phosphane

dichloro-tris(4-fluorophenyl)-λ5-phosphane (PubChem CID 22013252) has the molecular formula C18H12Cl2F3P and a molecular weight of 387.17 g/mol. Its IUPAC name is dichloro-tris(4-fluorophenyl)-λ5-phosphane.

Molecular Properties

Compound Namedichloro-tris(4-fluorophenyl)-λ5-phosphane
PubChem CID22013252
Molecular FormulaC18H12Cl2F3P
Molecular Weight387.17 g/mol
Exact Mass386.00
IUPAC Namedichloro-tris(4-fluorophenyl)-λ5-phosphane
SMILESFc1ccc(P(Cl)(Cl)(c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H12Cl2F3P/c19-24(20,16-7-1-13(21)2-8-16,17-9-3-14(22)4-10-17)18-11-5-15(23)6-12-18/h1-12H
InChIKeyZSTKLIMKRJIFKF-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.17
LogP ≤ 55.24
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 dichloro-tris(4-fluorophenyl)-λ5-phosphane?
The IUPAC name of dichloro-tris(4-fluorophenyl)-λ5-phosphane (CID 22013252) is dichloro-tris(4-fluorophenyl)-λ5-phosphane.
What is the SMILES notation for dichloro-tris(4-fluorophenyl)-λ5-phosphane?
The canonical SMILES for dichloro-tris(4-fluorophenyl)-λ5-phosphane is Fc1ccc(P(Cl)(Cl)(c2ccc(F)cc2)c2ccc(F)cc2)cc1.
What is the InChIKey of dichloro-tris(4-fluorophenyl)-λ5-phosphane?
The InChIKey is ZSTKLIMKRJIFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2F3P/c19-24(20,16-7-1-13(21)2-8-16,17-9-3-14(22)4-10-17)18-11-5-15(23)6-12-18/h1-12H.
What are the key properties of dichloro-tris(4-fluorophenyl)-λ5-phosphane?
dichloro-tris(4-fluorophenyl)-λ5-phosphane has a molecular weight of 387.17 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-tris(4-fluorophenyl)-λ5-phosphane is sourced from PubChem (CID 22013252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).