2,2-difluoro-1,3-diphenylpropane-1,3-dione

C15H10F2O2 — CID 3317886

IUPAC2,2-difluoro-1,3-diphenylpropane-1,3-dione
SMILESO=C(c1ccccc1)C(F)(F)C(=O)c1ccccc1
InChIInChI=1S/C15H10F2O2/c16-15(17,13(18)11-7-3-1-4-8-11)14(19)12-9-5-2-6-10-12/h1-10H
InChIKeyJOVRDMZVXGHYHX-UHFFFAOYSA-N
MW260.24 g/mol
LogP3.39
Rot. Bonds4

About 2,2-difluoro-1,3-diphenylpropane-1,3-dione

2,2-difluoro-1,3-diphenylpropane-1,3-dione (PubChem CID 3317886) has the molecular formula C15H10F2O2 and a molecular weight of 260.24 g/mol. Its IUPAC name is 2,2-difluoro-1,3-diphenylpropane-1,3-dione.

Molecular Properties

Compound Name2,2-difluoro-1,3-diphenylpropane-1,3-dione
PubChem CID3317886
Molecular FormulaC15H10F2O2
Molecular Weight260.24 g/mol
Exact Mass260.06
IUPAC Name2,2-difluoro-1,3-diphenylpropane-1,3-dione
SMILESO=C(c1ccccc1)C(F)(F)C(=O)c1ccccc1
InChIInChI=1S/C15H10F2O2/c16-15(17,13(18)11-7-3-1-4-8-11)14(19)12-9-5-2-6-10-12/h1-10H
InChIKeyJOVRDMZVXGHYHX-UHFFFAOYSA-N
XLogP3.39
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-difluoro-1-phenylbutane-1,3-dione
CID 14793037
potassium 2,2-difluoro-3-oxo-3-phenylpropanoate
CID 132514388
ethane;2,2,2-tribromo-1-phenylethanone
CID 159508588
CID 57211596
CID 57211596
2-benzoyl-2-fluorobutanoic acid
CID 57285727
1-phenyl-2,2-bis(trifluoromethyl)butan-1-one
CID 71529526
2,3,3,3-tetrafluoro-2-methoxy-1-phenylpropan-1-one
CID 101146953
(2S,3S)-2,3-dibenzoyl-2,3-dihydroxybutanedioic acid;hydrate
CID 130366077
benzoic acid;λ2-plumbane
CID 174927932
benzoic acid;zirconium
CID 173089080
cyclodecapentaenecarboxylic acid;methane
CID 162272407
CID 87293530
CID 87293530

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1,3-diphenylpropane-1,3-dione?
The IUPAC name of 2,2-difluoro-1,3-diphenylpropane-1,3-dione (CID 3317886) is 2,2-difluoro-1,3-diphenylpropane-1,3-dione.
What is the SMILES notation for 2,2-difluoro-1,3-diphenylpropane-1,3-dione?
The canonical SMILES for 2,2-difluoro-1,3-diphenylpropane-1,3-dione is O=C(c1ccccc1)C(F)(F)C(=O)c1ccccc1.
What is the InChIKey of 2,2-difluoro-1,3-diphenylpropane-1,3-dione?
The InChIKey is JOVRDMZVXGHYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2O2/c16-15(17,13(18)11-7-3-1-4-8-11)14(19)12-9-5-2-6-10-12/h1-10H.
What are the key properties of 2,2-difluoro-1,3-diphenylpropane-1,3-dione?
2,2-difluoro-1,3-diphenylpropane-1,3-dione has a molecular weight of 260.24 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1,3-diphenylpropane-1,3-dione is sourced from PubChem (CID 3317886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).