dilithium;2-(difluoromethyl)propanedioate

C4H2F2Li2O4 — CID 175268272

IUPACdilithium;2-(difluoromethyl)propanedioate
SMILESO=C([O-])C(C(=O)[O-])C(F)F.[Li+].[Li+]
InChIInChI=1S/C4H4F2O4.2Li/c5-2(6)1(3(7)8)4(9)10;;/h1-2H,(H,7,8)(H,9,10);;/q;2*+1/p-2
InChIKeyKWVZBUPSEVGNLC-UHFFFAOYSA-L
MW165.93 g/mol
LogP-8.62
Rot. Bonds3

About dilithium;2-(difluoromethyl)propanedioate

dilithium;2-(difluoromethyl)propanedioate (PubChem CID 175268272) has the molecular formula C4H2F2Li2O4 and a molecular weight of 165.93 g/mol. Its IUPAC name is dilithium;2-(difluoromethyl)propanedioate.

Molecular Properties

Compound Namedilithium;2-(difluoromethyl)propanedioate
PubChem CID175268272
Molecular FormulaC4H2F2Li2O4
Molecular Weight165.93 g/mol
Exact Mass166.02
IUPAC Namedilithium;2-(difluoromethyl)propanedioate
SMILESO=C([O-])C(C(=O)[O-])C(F)F.[Li+].[Li+]
InChIInChI=1S/C4H4F2O4.2Li/c5-2(6)1(3(7)8)4(9)10;;/h1-2H,(H,7,8)(H,9,10);;/q;2*+1/p-2
InChIKeyKWVZBUPSEVGNLC-UHFFFAOYSA-L
XLogP-8.62
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.93
LogP ≤ 5-8.62
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

sodium 2-fluoro-2-sulfoacetate
CID 141149406
tetralithium;tetracarbonofluoridate
CID 158341218
dilithium;2-methylpropanedioate
CID 87066943
2-chloropropanedioate
CID 19901306
dilithium bis(2-methylpropanoate)
CID 86626069
lithium 3-fluoro-2-hydroxypropanoate
CID 167714302
dilithium;2-amino-2-oxidoacetate
CID 56968278
disodium;2-chloropropanedioate
CID 118724292
calcium 2-bromopropanedioate
CID 153352123
copper bis(2,2,3,3-tetrafluoropropanoate)
CID 160873340
dilithium;(2R,4S)-2,3,4-trihydroxypentanedioate
CID 140580978
silver 2-fluorobutanoate
CID 175008636

Frequently Asked Questions

What is the IUPAC name of dilithium;2-(difluoromethyl)propanedioate?
The IUPAC name of dilithium;2-(difluoromethyl)propanedioate (CID 175268272) is dilithium;2-(difluoromethyl)propanedioate.
What is the SMILES notation for dilithium;2-(difluoromethyl)propanedioate?
The canonical SMILES for dilithium;2-(difluoromethyl)propanedioate is O=C([O-])C(C(=O)[O-])C(F)F.[Li+].[Li+].
What is the InChIKey of dilithium;2-(difluoromethyl)propanedioate?
The InChIKey is KWVZBUPSEVGNLC-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H4F2O4.2Li/c5-2(6)1(3(7)8)4(9)10;;/h1-2H,(H,7,8)(H,9,10);;/q;2*+1/p-2.
What are the key properties of dilithium;2-(difluoromethyl)propanedioate?
dilithium;2-(difluoromethyl)propanedioate has a molecular weight of 165.93 g/mol, XLogP of -8.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;2-(difluoromethyl)propanedioate is sourced from PubChem (CID 175268272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).