tris(4-fluorophenyl) phosphite

C18H12F3O3P — CID 620022

IUPACtris(4-fluorophenyl) phosphite
SMILESFc1ccc(OP(Oc2ccc(F)cc2)Oc2ccc(F)cc2)cc1
InChIInChI=1S/C18H12F3O3P/c19-13-1-7-16(8-2-13)22-25(23-17-9-3-14(20)4-10-17)24-18-11-5-15(21)6-12-18/h1-12H
InChIKeyFRNBZIYXYCTGSH-UHFFFAOYSA-N
MW364.26 g/mol
LogP5.87
Rot. Bonds6

About tris(4-fluorophenyl) phosphite

tris(4-fluorophenyl) phosphite (PubChem CID 620022) has the molecular formula C18H12F3O3P and a molecular weight of 364.26 g/mol. Its IUPAC name is tris(4-fluorophenyl) phosphite.

Molecular Properties

Compound Nametris(4-fluorophenyl) phosphite
PubChem CID620022
Molecular FormulaC18H12F3O3P
Molecular Weight364.26 g/mol
Exact Mass364.05
IUPAC Nametris(4-fluorophenyl) phosphite
SMILESFc1ccc(OP(Oc2ccc(F)cc2)Oc2ccc(F)cc2)cc1
InChIInChI=1S/C18H12F3O3P/c19-13-1-7-16(8-2-13)22-25(23-17-9-3-14(20)4-10-17)24-18-11-5-15(21)6-12-18/h1-12H
InChIKeyFRNBZIYXYCTGSH-UHFFFAOYSA-N
XLogP5.87
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.26
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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
Triphenyl borate
CID 14182
Diphenyl P-phenylphosphonate
CID 76448
O,O,O-Triphenyl stiborothioate
CID 22724594
Phenoxy(phenyl)phosphinic acid
CID 230483
Diphenyl phosphonate
CID 6327546

Frequently Asked Questions

What is the IUPAC name of tris(4-fluorophenyl) phosphite?
The IUPAC name of tris(4-fluorophenyl) phosphite (CID 620022) is tris(4-fluorophenyl) phosphite.
What is the SMILES notation for tris(4-fluorophenyl) phosphite?
The canonical SMILES for tris(4-fluorophenyl) phosphite is Fc1ccc(OP(Oc2ccc(F)cc2)Oc2ccc(F)cc2)cc1.
What is the InChIKey of tris(4-fluorophenyl) phosphite?
The InChIKey is FRNBZIYXYCTGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3O3P/c19-13-1-7-16(8-2-13)22-25(23-17-9-3-14(20)4-10-17)24-18-11-5-15(21)6-12-18/h1-12H.
What are the key properties of tris(4-fluorophenyl) phosphite?
tris(4-fluorophenyl) phosphite has a molecular weight of 364.26 g/mol, XLogP of 5.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-fluorophenyl) phosphite is sourced from PubChem (CID 620022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).