1,2-difluoro-3,4-diphenyl-5-phosphorosobenzene

C18H11F2OP — CID 89464024

IUPAC1,2-difluoro-3,4-diphenyl-5-phosphorosobenzene
SMILESO=Pc1cc(F)c(F)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C18H11F2OP/c19-14-11-15(22-21)16(12-7-3-1-4-8-12)17(18(14)20)13-9-5-2-6-10-13/h1-11H
InChIKeyBPRQTIBVYGKMKC-UHFFFAOYSA-N
MW312.25 g/mol
LogP5.22
Rot. Bonds3

About 1,2-difluoro-3,4-diphenyl-5-phosphorosobenzene

1,2-difluoro-3,4-diphenyl-5-phosphorosobenzene (PubChem CID 89464024) has the molecular formula C18H11F2OP and a molecular weight of 312.25 g/mol. Its IUPAC name is 1,2-difluoro-3,4-diphenyl-5-phosphorosobenzene.

Molecular Properties

Compound Name1,2-difluoro-3,4-diphenyl-5-phosphorosobenzene
PubChem CID89464024
Molecular FormulaC18H11F2OP
Molecular Weight312.25 g/mol
Exact Mass312.05
IUPAC Name1,2-difluoro-3,4-diphenyl-5-phosphorosobenzene
SMILESO=Pc1cc(F)c(F)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C18H11F2OP/c19-14-11-15(22-21)16(12-7-3-1-4-8-12)17(18(14)20)13-9-5-2-6-10-13/h1-11H
InChIKeyBPRQTIBVYGKMKC-UHFFFAOYSA-N
XLogP5.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.25
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3,4-diphenyl-5-phosphorosobenzene?
The IUPAC name of 1,2-difluoro-3,4-diphenyl-5-phosphorosobenzene (CID 89464024) is 1,2-difluoro-3,4-diphenyl-5-phosphorosobenzene.
What is the SMILES notation for 1,2-difluoro-3,4-diphenyl-5-phosphorosobenzene?
The canonical SMILES for 1,2-difluoro-3,4-diphenyl-5-phosphorosobenzene is O=Pc1cc(F)c(F)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1,2-difluoro-3,4-diphenyl-5-phosphorosobenzene?
The InChIKey is BPRQTIBVYGKMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2OP/c19-14-11-15(22-21)16(12-7-3-1-4-8-12)17(18(14)20)13-9-5-2-6-10-13/h1-11H.
What are the key properties of 1,2-difluoro-3,4-diphenyl-5-phosphorosobenzene?
1,2-difluoro-3,4-diphenyl-5-phosphorosobenzene has a molecular weight of 312.25 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3,4-diphenyl-5-phosphorosobenzene is sourced from PubChem (CID 89464024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).