acetyl acetate;actinium;deuterio(fluoro)methane;methane;propan-2-one

C10H23AcFO4 — CID 163710007

IUPACacetyl acetate;actinium;deuterio(fluoro)methane;methane;propan-2-one
SMILESC.C.CC(=O)OC(C)=O.CC(C)=O.[2H]CF.[Ac]
InChIInChI=1S/C4H6O3.C3H6O.CH3F.2CH4.Ac/c1-3(5)7-4(2)6;1-3(2)4;1-2;;;/h1-2H3;1-2H3;1H3;2*1H4;/i;;1D;;;
InChIKeyHXXPIGYDXSJLPR-JYUHCRIGSA-N
MW454.29 g/mol
LogP2.55
Rot. Bonds

About acetyl acetate;actinium;deuterio(fluoro)methane;methane;propan-2-one

acetyl acetate;actinium;deuterio(fluoro)methane;methane;propan-2-one (PubChem CID 163710007) has the molecular formula C10H23AcFO4 and a molecular weight of 454.29 g/mol. Its IUPAC name is acetyl acetate;actinium;deuterio(fluoro)methane;methane;propan-2-one.

Molecular Properties

Compound Nameacetyl acetate;actinium;deuterio(fluoro)methane;methane;propan-2-one
PubChem CID163710007
Molecular FormulaC10H23AcFO4
Molecular Weight454.29 g/mol
Exact Mass454.19
IUPAC Nameacetyl acetate;actinium;deuterio(fluoro)methane;methane;propan-2-one
SMILESC.C.CC(=O)OC(C)=O.CC(C)=O.[2H]CF.[Ac]
InChIInChI=1S/C4H6O3.C3H6O.CH3F.2CH4.Ac/c1-3(5)7-4(2)6;1-3(2)4;1-2;;;/h1-2H3;1-2H3;1H3;2*1H4;/i;;1D;;;
InChIKeyHXXPIGYDXSJLPR-JYUHCRIGSA-N
XLogP2.55
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.29
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 160689228
acetyl acetate;bis(trifluoroborane)
CID 87483459
aluminum;acetyl acetate;trichloride
CID 86584360
dicalcium;acetyl acetate;hydride
CID 174404063
acetyl acetate;carbanide;gold
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CID 174593639
dimagnesium;acetyl acetate;hydride;tetrahydrate
CID 174549676
(2,2,2-trideuterioacetyl) 2,2,2-trideuterioacetate
CID 87228938

Frequently Asked Questions

What is the IUPAC name of acetyl acetate;actinium;deuterio(fluoro)methane;methane;propan-2-one?
The IUPAC name of acetyl acetate;actinium;deuterio(fluoro)methane;methane;propan-2-one (CID 163710007) is acetyl acetate;actinium;deuterio(fluoro)methane;methane;propan-2-one.
What is the SMILES notation for acetyl acetate;actinium;deuterio(fluoro)methane;methane;propan-2-one?
The canonical SMILES for acetyl acetate;actinium;deuterio(fluoro)methane;methane;propan-2-one is C.C.CC(=O)OC(C)=O.CC(C)=O.[2H]CF.[Ac].
What is the InChIKey of acetyl acetate;actinium;deuterio(fluoro)methane;methane;propan-2-one?
The InChIKey is HXXPIGYDXSJLPR-JYUHCRIGSA-N. The full InChI is InChI=1S/C4H6O3.C3H6O.CH3F.2CH4.Ac/c1-3(5)7-4(2)6;1-3(2)4;1-2;;;/h1-2H3;1-2H3;1H3;2*1H4;/i;;1D;;;.
What are the key properties of acetyl acetate;actinium;deuterio(fluoro)methane;methane;propan-2-one?
acetyl acetate;actinium;deuterio(fluoro)methane;methane;propan-2-one has a molecular weight of 454.29 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl acetate;actinium;deuterio(fluoro)methane;methane;propan-2-one is sourced from PubChem (CID 163710007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).