lithium 6,6,7,7,8,8,8-heptafluoro-2,2-dimethoxy-3,5-dioxooctanoate

C10H8F7LiO6 — CID 169006335

IUPAClithium 6,6,7,7,8,8,8-heptafluoro-2,2-dimethoxy-3,5-dioxooctanoate
SMILESCOC(OC)(C(=O)[O-])C(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)F.[Li+]
InChIInChI=1S/C10H9F7O6.Li/c1-22-7(23-2,6(20)21)4(18)3-5(19)8(11,12)9(13,14)10(15,16)17;/h3H2,1-2H3,(H,20,21);/q;+1/p-1
InChIKeyCMMKOPPKSWTDFB-UHFFFAOYSA-M
MW364.10 g/mol
LogP-2.91
Rot. Bonds8

About lithium 6,6,7,7,8,8,8-heptafluoro-2,2-dimethoxy-3,5-dioxooctanoate

lithium 6,6,7,7,8,8,8-heptafluoro-2,2-dimethoxy-3,5-dioxooctanoate (PubChem CID 169006335) has the molecular formula C10H8F7LiO6 and a molecular weight of 364.10 g/mol. Its IUPAC name is lithium 6,6,7,7,8,8,8-heptafluoro-2,2-dimethoxy-3,5-dioxooctanoate.

Molecular Properties

Compound Namelithium 6,6,7,7,8,8,8-heptafluoro-2,2-dimethoxy-3,5-dioxooctanoate
PubChem CID169006335
Molecular FormulaC10H8F7LiO6
Molecular Weight364.10 g/mol
Exact Mass364.04
IUPAC Namelithium 6,6,7,7,8,8,8-heptafluoro-2,2-dimethoxy-3,5-dioxooctanoate
SMILESCOC(OC)(C(=O)[O-])C(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)F.[Li+]
InChIInChI=1S/C10H9F7O6.Li/c1-22-7(23-2,6(20)21)4(18)3-5(19)8(11,12)9(13,14)10(15,16)17;/h3H2,1-2H3,(H,20,21);/q;+1/p-1
InChIKeyCMMKOPPKSWTDFB-UHFFFAOYSA-M
XLogP-2.91
TPSA92.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.10
LogP ≤ 5-2.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze lithium 6,6,7,7,8,8,8-heptafluoro-2,2-dimethoxy-3,5-dioxooctanoate 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

1,1,1,2,2,3,3,7,7,8,8,9,9,9-tetradecafluorononane-4,6-dione
CID 617328
strontium bis(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione)
CID 138395037
1,1,1,2,2,6,6,7,7,7-decafluoroheptane-3,5-dione;6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione
CID 162074940
lithium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecanoate
CID 23704960
2,2-difluoro-2-methoxyacetate
CID 164747737
tetrakis(2,2,3,3,4,4,4-heptafluorobutanoate);heptakis(tetraethylazanium);borate
CID 159900616
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecanoate
CID 22174013
8-chloro-1,1,1,2,2,3,3-heptafluorooctan-4-one
CID 171776124
methyl 4-(2,2,3,3,4,4,4-heptafluorobutanoyl)benzoate
CID 146011064
1-ethoxy-4,4,5,5,6,6,6-heptafluoro-1-oxohex-2-en-3-olate
CID 4292676
2-methoxy-2-methylpropanoate
CID 21283494
1,1,1,2,2,3,3-heptafluoro-6-hydroxy-7,7-dimethyloctan-4-one
CID 13429305

Frequently Asked Questions

What is the IUPAC name of lithium 6,6,7,7,8,8,8-heptafluoro-2,2-dimethoxy-3,5-dioxooctanoate?
The IUPAC name of lithium 6,6,7,7,8,8,8-heptafluoro-2,2-dimethoxy-3,5-dioxooctanoate (CID 169006335) is lithium 6,6,7,7,8,8,8-heptafluoro-2,2-dimethoxy-3,5-dioxooctanoate.
What is the SMILES notation for lithium 6,6,7,7,8,8,8-heptafluoro-2,2-dimethoxy-3,5-dioxooctanoate?
The canonical SMILES for lithium 6,6,7,7,8,8,8-heptafluoro-2,2-dimethoxy-3,5-dioxooctanoate is COC(OC)(C(=O)[O-])C(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)F.[Li+].
What is the InChIKey of lithium 6,6,7,7,8,8,8-heptafluoro-2,2-dimethoxy-3,5-dioxooctanoate?
The InChIKey is CMMKOPPKSWTDFB-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H9F7O6.Li/c1-22-7(23-2,6(20)21)4(18)3-5(19)8(11,12)9(13,14)10(15,16)17;/h3H2,1-2H3,(H,20,21);/q;+1/p-1.
What are the key properties of lithium 6,6,7,7,8,8,8-heptafluoro-2,2-dimethoxy-3,5-dioxooctanoate?
lithium 6,6,7,7,8,8,8-heptafluoro-2,2-dimethoxy-3,5-dioxooctanoate has a molecular weight of 364.10 g/mol, XLogP of -2.91, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 6,6,7,7,8,8,8-heptafluoro-2,2-dimethoxy-3,5-dioxooctanoate is sourced from PubChem (CID 169006335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).