tris(4-fluorophenyl) phosphate

C18H12F3O4P — CID 14175371

IUPACtris(4-fluorophenyl) phosphate
SMILESO=P(Oc1ccc(F)cc1)(Oc1ccc(F)cc1)Oc1ccc(F)cc1
InChIInChI=1S/C18H12F3O4P/c19-13-1-7-16(8-2-13)23-26(22,24-17-9-3-14(20)4-10-17)25-18-11-5-15(21)6-12-18/h1-12H
InChIKeyVDQBLVCDTPUCQH-UHFFFAOYSA-N
MW380.26 g/mol
LogP5.75
Rot. Bonds6

About tris(4-fluorophenyl) phosphate

tris(4-fluorophenyl) phosphate (PubChem CID 14175371) has the molecular formula C18H12F3O4P and a molecular weight of 380.26 g/mol. Its IUPAC name is tris(4-fluorophenyl) phosphate.

Molecular Properties

Compound Nametris(4-fluorophenyl) phosphate
PubChem CID14175371
Molecular FormulaC18H12F3O4P
Molecular Weight380.26 g/mol
Exact Mass380.04
IUPAC Nametris(4-fluorophenyl) phosphate
SMILESO=P(Oc1ccc(F)cc1)(Oc1ccc(F)cc1)Oc1ccc(F)cc1
InChIInChI=1S/C18H12F3O4P/c19-13-1-7-16(8-2-13)23-26(22,24-17-9-3-14(20)4-10-17)25-18-11-5-15(21)6-12-18/h1-12H
InChIKeyVDQBLVCDTPUCQH-UHFFFAOYSA-N
XLogP5.75
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.26
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tris(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

Related Compounds

Triphenyl Phosphate
CID 8289
Triphenyl phosphite
CID 7540
O,O,O-Triphenyl phosphorothioate
CID 69011
Diphenyl chlorophosphate
CID 75654
Phosphoric acid, diphenyl ester
CID 13282
Diphenyl methylphosphonate
CID 82027
Diphenyl phosphite
CID 62550
Methyl diphenyl phosphate
CID 8291
Diphenyl P-phenylphosphonate
CID 76448
Butyl diphenyl phosphate
CID 17682
Phenoxy(phenyl)phosphinic acid
CID 230483
Diphenyl phosphonate
CID 6327546

Frequently Asked Questions

What is the IUPAC name of tris(4-fluorophenyl) phosphate?
The IUPAC name of tris(4-fluorophenyl) phosphate (CID 14175371) is tris(4-fluorophenyl) phosphate.
What is the SMILES notation for tris(4-fluorophenyl) phosphate?
The canonical SMILES for tris(4-fluorophenyl) phosphate is O=P(Oc1ccc(F)cc1)(Oc1ccc(F)cc1)Oc1ccc(F)cc1.
What is the InChIKey of tris(4-fluorophenyl) phosphate?
The InChIKey is VDQBLVCDTPUCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3O4P/c19-13-1-7-16(8-2-13)23-26(22,24-17-9-3-14(20)4-10-17)25-18-11-5-15(21)6-12-18/h1-12H.
What are the key properties of tris(4-fluorophenyl) phosphate?
tris(4-fluorophenyl) phosphate has a molecular weight of 380.26 g/mol, XLogP of 5.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-fluorophenyl) phosphate is sourced from PubChem (CID 14175371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).