4-diphenoxyphosphoryl-1,2-difluorobenzene

C18H13F2O3P — CID 141456915

IUPAC4-diphenoxyphosphoryl-1,2-difluorobenzene
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H13F2O3P/c19-17-12-11-16(13-18(17)20)24(21,22-14-7-3-1-4-8-14)23-15-9-5-2-6-10-15/h1-13H
InChIKeyKYFKGCSDTAACSZ-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.94
Rot. Bonds5

About 4-diphenoxyphosphoryl-1,2-difluorobenzene

4-diphenoxyphosphoryl-1,2-difluorobenzene (PubChem CID 141456915) has the molecular formula C18H13F2O3P and a molecular weight of 346.27 g/mol. Its IUPAC name is 4-diphenoxyphosphoryl-1,2-difluorobenzene.

Molecular Properties

Compound Name4-diphenoxyphosphoryl-1,2-difluorobenzene
PubChem CID141456915
Molecular FormulaC18H13F2O3P
Molecular Weight346.27 g/mol
Exact Mass346.06
IUPAC Name4-diphenoxyphosphoryl-1,2-difluorobenzene
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H13F2O3P/c19-17-12-11-16(13-18(17)20)24(21,22-14-7-3-1-4-8-14)23-15-9-5-2-6-10-15/h1-13H
InChIKeyKYFKGCSDTAACSZ-UHFFFAOYSA-N
XLogP4.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-diphenoxyphosphoryl-1,2-difluorobenzene 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

bis(3,4-difluorophenyl) phenyl phosphate
CID 138736917
(3,4-difluorophenyl) diphenyl phosphate
CID 138736983
5-diphenoxyphosphoryl-1,3-benzodioxole
CID 11428171
1-diphenoxyphosphoryl-4-ethynylbenzene
CID 141456920
diphenyl hydrogen phosphate;1,2,3,4,5-pentafluorobenzene
CID 155318803
(3-fluorophenyl) diphenyl phosphate
CID 154131589
[ethoxy(phenyl)phosphoryl]oxybenzene
CID 12735424
triphenyl phosphate;hydrate
CID 66881958
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
1-[phenyl-(4-prop-2-enoxyphenoxy)phosphoryl]oxy-4-prop-2-enoxybenzene
CID 141391310
phenyl-[4-[phenyl-(4-phenyldiazenylphenoxy)phosphoryl]oxyphenyl]diazene
CID 155046277
tetrasodium phenyl phosphate
CID 172856118

Frequently Asked Questions

What is the IUPAC name of 4-diphenoxyphosphoryl-1,2-difluorobenzene?
The IUPAC name of 4-diphenoxyphosphoryl-1,2-difluorobenzene (CID 141456915) is 4-diphenoxyphosphoryl-1,2-difluorobenzene.
What is the SMILES notation for 4-diphenoxyphosphoryl-1,2-difluorobenzene?
The canonical SMILES for 4-diphenoxyphosphoryl-1,2-difluorobenzene is O=P(Oc1ccccc1)(Oc1ccccc1)c1ccc(F)c(F)c1.
What is the InChIKey of 4-diphenoxyphosphoryl-1,2-difluorobenzene?
The InChIKey is KYFKGCSDTAACSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2O3P/c19-17-12-11-16(13-18(17)20)24(21,22-14-7-3-1-4-8-14)23-15-9-5-2-6-10-15/h1-13H.
What are the key properties of 4-diphenoxyphosphoryl-1,2-difluorobenzene?
4-diphenoxyphosphoryl-1,2-difluorobenzene has a molecular weight of 346.27 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diphenoxyphosphoryl-1,2-difluorobenzene is sourced from PubChem (CID 141456915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).