2-fluoro-2-methylbutanedioyl dichloride

C5H5Cl2FO2 — CID 19349889

IUPAC2-fluoro-2-methylbutanedioyl dichloride
SMILESCC(F)(CC(=O)Cl)C(=O)Cl
InChIInChI=1S/C5H5Cl2FO2/c1-5(8,4(7)10)2-3(6)9/h2H2,1H3
InChIKeyAGPKILAAEGYPLO-UHFFFAOYSA-N
MW187.00 g/mol
LogP1.64
Rot. Bonds3

About 2-fluoro-2-methylbutanedioyl dichloride

2-fluoro-2-methylbutanedioyl dichloride (PubChem CID 19349889) has the molecular formula C5H5Cl2FO2 and a molecular weight of 187.00 g/mol. Its IUPAC name is 2-fluoro-2-methylbutanedioyl dichloride.

Molecular Properties

Compound Name2-fluoro-2-methylbutanedioyl dichloride
PubChem CID19349889
Molecular FormulaC5H5Cl2FO2
Molecular Weight187.00 g/mol
Exact Mass185.97
IUPAC Name2-fluoro-2-methylbutanedioyl dichloride
SMILESCC(F)(CC(=O)Cl)C(=O)Cl
InChIInChI=1S/C5H5Cl2FO2/c1-5(8,4(7)10)2-3(6)9/h2H2,1H3
InChIKeyAGPKILAAEGYPLO-UHFFFAOYSA-N
XLogP1.64
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.00
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methylbutanedioyl dichloride?
The IUPAC name of 2-fluoro-2-methylbutanedioyl dichloride (CID 19349889) is 2-fluoro-2-methylbutanedioyl dichloride.
What is the SMILES notation for 2-fluoro-2-methylbutanedioyl dichloride?
The canonical SMILES for 2-fluoro-2-methylbutanedioyl dichloride is CC(F)(CC(=O)Cl)C(=O)Cl.
What is the InChIKey of 2-fluoro-2-methylbutanedioyl dichloride?
The InChIKey is AGPKILAAEGYPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl2FO2/c1-5(8,4(7)10)2-3(6)9/h2H2,1H3.
What are the key properties of 2-fluoro-2-methylbutanedioyl dichloride?
2-fluoro-2-methylbutanedioyl dichloride has a molecular weight of 187.00 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methylbutanedioyl dichloride is sourced from PubChem (CID 19349889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).