1-(4-diphenylphosphanylphenyl)-4,4,5,5,5-pentafluoropentane-1,3-dione

C23H16F5O2P — CID 132521363

IUPAC1-(4-diphenylphosphanylphenyl)-4,4,5,5,5-pentafluoropentane-1,3-dione
SMILESO=C(CC(=O)C(F)(F)C(F)(F)F)c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H16F5O2P/c24-22(25,23(26,27)28)21(30)15-20(29)16-11-13-19(14-12-16)31(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H,15H2
InChIKeyUEFYRPMSPTZWLS-UHFFFAOYSA-N
MW450.34 g/mol
LogP4.78
Rot. Bonds7

About 1-(4-diphenylphosphanylphenyl)-4,4,5,5,5-pentafluoropentane-1,3-dione

1-(4-diphenylphosphanylphenyl)-4,4,5,5,5-pentafluoropentane-1,3-dione (PubChem CID 132521363) has the molecular formula C23H16F5O2P and a molecular weight of 450.34 g/mol. Its IUPAC name is 1-(4-diphenylphosphanylphenyl)-4,4,5,5,5-pentafluoropentane-1,3-dione.

Molecular Properties

Compound Name1-(4-diphenylphosphanylphenyl)-4,4,5,5,5-pentafluoropentane-1,3-dione
PubChem CID132521363
Molecular FormulaC23H16F5O2P
Molecular Weight450.34 g/mol
Exact Mass450.08
IUPAC Name1-(4-diphenylphosphanylphenyl)-4,4,5,5,5-pentafluoropentane-1,3-dione
SMILESO=C(CC(=O)C(F)(F)C(F)(F)F)c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H16F5O2P/c24-22(25,23(26,27)28)21(30)15-20(29)16-11-13-19(14-12-16)31(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H,15H2
InChIKeyUEFYRPMSPTZWLS-UHFFFAOYSA-N
XLogP4.78
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.34
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-difluorophenyl)-4,4,5,5,5-pentafluoropentane-1,3-dione
CID 12588959
europium;tetrakis(4,4,4-trifluoro-1-phenylbutane-1,3-dione)
CID 159123856
1-(9H-carbazol-2-yl)-4,4,5,5,5-pentafluoropentane-1,3-dione
CID 91160960
4,4,5,5,6,6,6-heptafluoro-1-naphthalen-2-ylhexane-1,3-dione
CID 86004327
gold;trifluoromethanesulfonic acid;triphenylphosphane
CID 158410335
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
chromium(2+);tris(3-oxo-3-phenylpropanoate)
CID 20833080
silver 3-oxo-3-phenylpropanoate
CID 86633512
CID 175394574
CID 175394574
gold(3+);triphenylphosphane;triacetate
CID 160881940
carbonyl dichloride;bis(triphenylphosphane)
CID 87775041

Frequently Asked Questions

What is the IUPAC name of 1-(4-diphenylphosphanylphenyl)-4,4,5,5,5-pentafluoropentane-1,3-dione?
The IUPAC name of 1-(4-diphenylphosphanylphenyl)-4,4,5,5,5-pentafluoropentane-1,3-dione (CID 132521363) is 1-(4-diphenylphosphanylphenyl)-4,4,5,5,5-pentafluoropentane-1,3-dione.
What is the SMILES notation for 1-(4-diphenylphosphanylphenyl)-4,4,5,5,5-pentafluoropentane-1,3-dione?
The canonical SMILES for 1-(4-diphenylphosphanylphenyl)-4,4,5,5,5-pentafluoropentane-1,3-dione is O=C(CC(=O)C(F)(F)C(F)(F)F)c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-(4-diphenylphosphanylphenyl)-4,4,5,5,5-pentafluoropentane-1,3-dione?
The InChIKey is UEFYRPMSPTZWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F5O2P/c24-22(25,23(26,27)28)21(30)15-20(29)16-11-13-19(14-12-16)31(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H,15H2.
What are the key properties of 1-(4-diphenylphosphanylphenyl)-4,4,5,5,5-pentafluoropentane-1,3-dione?
1-(4-diphenylphosphanylphenyl)-4,4,5,5,5-pentafluoropentane-1,3-dione has a molecular weight of 450.34 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-diphenylphosphanylphenyl)-4,4,5,5,5-pentafluoropentane-1,3-dione is sourced from PubChem (CID 132521363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).