tris(2-chloro-4-fluorophenyl) phosphate

C18H9Cl3F3O4P — CID 18519162

IUPACtris(2-chloro-4-fluorophenyl) phosphate
SMILESO=P(Oc1ccc(F)cc1Cl)(Oc1ccc(F)cc1Cl)Oc1ccc(F)cc1Cl
InChIInChI=1S/C18H9Cl3F3O4P/c19-13-7-10(22)1-4-16(13)26-29(25,27-17-5-2-11(23)8-14(17)20)28-18-6-3-12(24)9-15(18)21/h1-9H
InChIKeyBAOMUGCKSOKKMC-UHFFFAOYSA-N
MW483.59 g/mol
LogP7.71
Rot. Bonds6

About tris(2-chloro-4-fluorophenyl) phosphate

tris(2-chloro-4-fluorophenyl) phosphate (PubChem CID 18519162) has the molecular formula C18H9Cl3F3O4P and a molecular weight of 483.59 g/mol. Its IUPAC name is tris(2-chloro-4-fluorophenyl) phosphate.

Molecular Properties

Compound Nametris(2-chloro-4-fluorophenyl) phosphate
PubChem CID18519162
Molecular FormulaC18H9Cl3F3O4P
Molecular Weight483.59 g/mol
Exact Mass481.93
IUPAC Nametris(2-chloro-4-fluorophenyl) phosphate
SMILESO=P(Oc1ccc(F)cc1Cl)(Oc1ccc(F)cc1Cl)Oc1ccc(F)cc1Cl
InChIInChI=1S/C18H9Cl3F3O4P/c19-13-7-10(22)1-4-16(13)26-29(25,27-17-5-2-11(23)8-14(17)20)28-18-6-3-12(24)9-15(18)21/h1-9H
InChIKeyBAOMUGCKSOKKMC-UHFFFAOYSA-N
XLogP7.71
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.59
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tris(2-chloro-4-fluorophenyl) phosphate 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 tris(2-chloro-4-fluorophenyl) phosphate?
The IUPAC name of tris(2-chloro-4-fluorophenyl) phosphate (CID 18519162) is tris(2-chloro-4-fluorophenyl) phosphate.
What is the SMILES notation for tris(2-chloro-4-fluorophenyl) phosphate?
The canonical SMILES for tris(2-chloro-4-fluorophenyl) phosphate is O=P(Oc1ccc(F)cc1Cl)(Oc1ccc(F)cc1Cl)Oc1ccc(F)cc1Cl.
What is the InChIKey of tris(2-chloro-4-fluorophenyl) phosphate?
The InChIKey is BAOMUGCKSOKKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9Cl3F3O4P/c19-13-7-10(22)1-4-16(13)26-29(25,27-17-5-2-11(23)8-14(17)20)28-18-6-3-12(24)9-15(18)21/h1-9H.
What are the key properties of tris(2-chloro-4-fluorophenyl) phosphate?
tris(2-chloro-4-fluorophenyl) phosphate has a molecular weight of 483.59 g/mol, XLogP of 7.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-chloro-4-fluorophenyl) phosphate is sourced from PubChem (CID 18519162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).