2-fluoro-3-fluorooxy-2-methyl-3-oxopropanoic acid

C4H4F2O4 — CID 150240323

IUPAC2-fluoro-3-fluorooxy-2-methyl-3-oxopropanoic acid
SMILESCC(F)(C(=O)O)C(=O)OF
InChIInChI=1S/C4H4F2O4/c1-4(5,2(7)8)3(9)10-6/h1H3,(H,7,8)
InChIKeyFXJVYZUULIGQPV-UHFFFAOYSA-N
MW154.07 g/mol
LogP0.23
Rot. Bonds2

About 2-fluoro-3-fluorooxy-2-methyl-3-oxopropanoic acid

2-fluoro-3-fluorooxy-2-methyl-3-oxopropanoic acid (PubChem CID 150240323) has the molecular formula C4H4F2O4 and a molecular weight of 154.07 g/mol. Its IUPAC name is 2-fluoro-3-fluorooxy-2-methyl-3-oxopropanoic acid.

Molecular Properties

Compound Name2-fluoro-3-fluorooxy-2-methyl-3-oxopropanoic acid
PubChem CID150240323
Molecular FormulaC4H4F2O4
Molecular Weight154.07 g/mol
Exact Mass154.01
IUPAC Name2-fluoro-3-fluorooxy-2-methyl-3-oxopropanoic acid
SMILESCC(F)(C(=O)O)C(=O)OF
InChIInChI=1S/C4H4F2O4/c1-4(5,2(7)8)3(9)10-6/h1H3,(H,7,8)
InChIKeyFXJVYZUULIGQPV-UHFFFAOYSA-N
XLogP0.23
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.07
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

lithium;difluoroborinate;2-fluoro-2-methylpropanedioic acid
CID 174054799
lithium;dihydrogen borate;bis(2-fluoro-2-methylpropanedioic acid)
CID 175720054
3,3-difluoro-2-methoxycarbonyl-2-methylbutanoic acid
CID 135382206
fluoro 2-fluoro-2-(trifluoromethyl)butanoate
CID 57470647
copper;fluoro 2,2,4,4,4-pentafluoro-3-oxobutanoate
CID 87233917
difluoro 2,2-dichloro-3,3-difluorobutanedioate
CID 174892159
3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid
CID 2736186
fluoro 2,2,3,3-tetramethylpent-4-ynoate
CID 174359263
2,2-dimethylpropanoic acid
CID 87781698
2-fluoropropan-2-yl hydrogen carbonate
CID 87318684
2,2-difluoro-3-hydroxy-3-methylbutanoic acid
CID 10773173
fluoro 3,3,3-trifluoro-2-oxopropanoate
CID 87371740

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-fluorooxy-2-methyl-3-oxopropanoic acid?
The IUPAC name of 2-fluoro-3-fluorooxy-2-methyl-3-oxopropanoic acid (CID 150240323) is 2-fluoro-3-fluorooxy-2-methyl-3-oxopropanoic acid.
What is the SMILES notation for 2-fluoro-3-fluorooxy-2-methyl-3-oxopropanoic acid?
The canonical SMILES for 2-fluoro-3-fluorooxy-2-methyl-3-oxopropanoic acid is CC(F)(C(=O)O)C(=O)OF.
What is the InChIKey of 2-fluoro-3-fluorooxy-2-methyl-3-oxopropanoic acid?
The InChIKey is FXJVYZUULIGQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2O4/c1-4(5,2(7)8)3(9)10-6/h1H3,(H,7,8).
What are the key properties of 2-fluoro-3-fluorooxy-2-methyl-3-oxopropanoic acid?
2-fluoro-3-fluorooxy-2-methyl-3-oxopropanoic acid has a molecular weight of 154.07 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-fluorooxy-2-methyl-3-oxopropanoic acid is sourced from PubChem (CID 150240323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).