3-diphenylphosphoryl-1,2,4,5-tetrafluorobenzene

C18H11F4OP — CID 172559214

IUPAC3-diphenylphosphoryl-1,2,4,5-tetrafluorobenzene
SMILESO=P(c1ccccc1)(c1ccccc1)c1c(F)c(F)cc(F)c1F
InChIInChI=1S/C18H11F4OP/c19-14-11-15(20)17(22)18(16(14)21)24(23,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11H
InChIKeyJAHXYQCZUDXQTE-UHFFFAOYSA-N
MW350.25 g/mol
LogP3.88
Rot. Bonds3

About 3-diphenylphosphoryl-1,2,4,5-tetrafluorobenzene

3-diphenylphosphoryl-1,2,4,5-tetrafluorobenzene (PubChem CID 172559214) has the molecular formula C18H11F4OP and a molecular weight of 350.25 g/mol. Its IUPAC name is 3-diphenylphosphoryl-1,2,4,5-tetrafluorobenzene.

Molecular Properties

Compound Name3-diphenylphosphoryl-1,2,4,5-tetrafluorobenzene
PubChem CID172559214
Molecular FormulaC18H11F4OP
Molecular Weight350.25 g/mol
Exact Mass350.05
IUPAC Name3-diphenylphosphoryl-1,2,4,5-tetrafluorobenzene
SMILESO=P(c1ccccc1)(c1ccccc1)c1c(F)c(F)cc(F)c1F
InChIInChI=1S/C18H11F4OP/c19-14-11-15(20)17(22)18(16(14)21)24(23,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11H
InChIKeyJAHXYQCZUDXQTE-UHFFFAOYSA-N
XLogP3.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-diphenylphosphoryl-1,2,4,5-tetrafluorobenzene?
The IUPAC name of 3-diphenylphosphoryl-1,2,4,5-tetrafluorobenzene (CID 172559214) is 3-diphenylphosphoryl-1,2,4,5-tetrafluorobenzene.
What is the SMILES notation for 3-diphenylphosphoryl-1,2,4,5-tetrafluorobenzene?
The canonical SMILES for 3-diphenylphosphoryl-1,2,4,5-tetrafluorobenzene is O=P(c1ccccc1)(c1ccccc1)c1c(F)c(F)cc(F)c1F.
What is the InChIKey of 3-diphenylphosphoryl-1,2,4,5-tetrafluorobenzene?
The InChIKey is JAHXYQCZUDXQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F4OP/c19-14-11-15(20)17(22)18(16(14)21)24(23,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11H.
What are the key properties of 3-diphenylphosphoryl-1,2,4,5-tetrafluorobenzene?
3-diphenylphosphoryl-1,2,4,5-tetrafluorobenzene has a molecular weight of 350.25 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diphenylphosphoryl-1,2,4,5-tetrafluorobenzene is sourced from PubChem (CID 172559214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).