acetyl acetate;(2,2-difluoroacetyl) 2,2-difluoroacetate

C8H8F4O6 — CID 138487965

IUPACacetyl acetate;(2,2-difluoroacetyl) 2,2-difluoroacetate
SMILESCC(=O)OC(C)=O.O=C(OC(=O)C(F)F)C(F)F
InChIInChI=1S/C4H2F4O3.C4H6O3/c5-1(6)3(9)11-4(10)2(7)8;1-3(5)7-4(2)6/h1-2H;1-2H3
InChIKeyLOPNRARZKQWXMN-UHFFFAOYSA-N
MW276.14 g/mol
LogP0.68
Rot. Bonds2

About acetyl acetate;(2,2-difluoroacetyl) 2,2-difluoroacetate

acetyl acetate;(2,2-difluoroacetyl) 2,2-difluoroacetate (PubChem CID 138487965) has the molecular formula C8H8F4O6 and a molecular weight of 276.14 g/mol. Its IUPAC name is acetyl acetate;(2,2-difluoroacetyl) 2,2-difluoroacetate.

Molecular Properties

Compound Nameacetyl acetate;(2,2-difluoroacetyl) 2,2-difluoroacetate
PubChem CID138487965
Molecular FormulaC8H8F4O6
Molecular Weight276.14 g/mol
Exact Mass276.03
IUPAC Nameacetyl acetate;(2,2-difluoroacetyl) 2,2-difluoroacetate
SMILESCC(=O)OC(C)=O.O=C(OC(=O)C(F)F)C(F)F
InChIInChI=1S/C4H2F4O3.C4H6O3/c5-1(6)3(9)11-4(10)2(7)8;1-3(5)7-4(2)6/h1-2H;1-2H3
InChIKeyLOPNRARZKQWXMN-UHFFFAOYSA-N
XLogP0.68
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.14
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethylethanamine;(2,2-difluoroacetyl) 2,2-difluoroacetate
CID 157368354
acetyl acetate;hydrochloride
CID 87138027
acetyl acetate;chromium(2+)
CID 19978523
CID 160689228
CID 160689228
acetyl acetate;bis(trifluoroborane)
CID 87483459
acetyl acetate;carbanide;gold
CID 87857087
dicalcium;acetyl acetate;hydride
CID 174404063
acetyl acetate;zinc;dihydrate
CID 174593639
aluminum;acetyl acetate;trichloride
CID 86584360
2-fluoropropanoyl 2-fluoropropanoate
CID 57174610
acetyl acetate;methoxymethane;propan-2-one
CID 158376836
dimagnesium;acetyl acetate;hydride;tetrahydrate
CID 174549676

Frequently Asked Questions

What is the IUPAC name of acetyl acetate;(2,2-difluoroacetyl) 2,2-difluoroacetate?
The IUPAC name of acetyl acetate;(2,2-difluoroacetyl) 2,2-difluoroacetate (CID 138487965) is acetyl acetate;(2,2-difluoroacetyl) 2,2-difluoroacetate.
What is the SMILES notation for acetyl acetate;(2,2-difluoroacetyl) 2,2-difluoroacetate?
The canonical SMILES for acetyl acetate;(2,2-difluoroacetyl) 2,2-difluoroacetate is CC(=O)OC(C)=O.O=C(OC(=O)C(F)F)C(F)F.
What is the InChIKey of acetyl acetate;(2,2-difluoroacetyl) 2,2-difluoroacetate?
The InChIKey is LOPNRARZKQWXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F4O3.C4H6O3/c5-1(6)3(9)11-4(10)2(7)8;1-3(5)7-4(2)6/h1-2H;1-2H3.
What are the key properties of acetyl acetate;(2,2-difluoroacetyl) 2,2-difluoroacetate?
acetyl acetate;(2,2-difluoroacetyl) 2,2-difluoroacetate has a molecular weight of 276.14 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl acetate;(2,2-difluoroacetyl) 2,2-difluoroacetate is sourced from PubChem (CID 138487965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).