2-(18F)fluoroacetyl chloride

C2H2ClFO — CID 24764366

IUPAC2-(18F)fluoroacetyl chloride
SMILESO=C(Cl)C[18F]
InChIInChI=1S/C2H2ClFO/c3-2(5)1-4/h1H2/i4-1
InChIKeyZBHDTYQJAQDBIH-NUTRPMROSA-N
MW95.49 g/mol
LogP0.72
Rot. Bonds1

About 2-(18F)fluoroacetyl chloride

2-(18F)fluoroacetyl chloride (PubChem CID 24764366) has the molecular formula C2H2ClFO and a molecular weight of 95.49 g/mol. Its IUPAC name is 2-(18F)fluoroacetyl chloride.

Molecular Properties

Compound Name2-(18F)fluoroacetyl chloride
PubChem CID24764366
Molecular FormulaC2H2ClFO
Molecular Weight95.49 g/mol
Exact Mass94.98
IUPAC Name2-(18F)fluoroacetyl chloride
SMILESO=C(Cl)C[18F]
InChIInChI=1S/C2H2ClFO/c3-2(5)1-4/h1H2/i4-1
InChIKeyZBHDTYQJAQDBIH-NUTRPMROSA-N
XLogP0.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.49
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloroacetyl chloride;silane
CID 174549758
2-fluoroacetic acid;hydrochloride
CID 87782456
CID 54492639
CID 54492639
2-iodoacetyl chloride
CID 3084680
2-silylacetyl chloride
CID 123343525
cesium;2-fluoroacetic acid;hydride
CID 174840723
2-aminoacetyl chloride;hydrochloride
CID 15561435
cesium 2-fluoroacetate
CID 141149492
3-oxopentanedioyl dichloride
CID 134894189
europium(2+);bis(2-fluoroacetate)
CID 87746724
tris(2-fluoroacetate);yttrium(3+)
CID 158835957
1,1,2-trichloro-3-fluoroprop-1-ene
CID 53375582

Frequently Asked Questions

What is the IUPAC name of 2-(18F)fluoroacetyl chloride?
The IUPAC name of 2-(18F)fluoroacetyl chloride (CID 24764366) is 2-(18F)fluoroacetyl chloride.
What is the SMILES notation for 2-(18F)fluoroacetyl chloride?
The canonical SMILES for 2-(18F)fluoroacetyl chloride is O=C(Cl)C[18F].
What is the InChIKey of 2-(18F)fluoroacetyl chloride?
The InChIKey is ZBHDTYQJAQDBIH-NUTRPMROSA-N. The full InChI is InChI=1S/C2H2ClFO/c3-2(5)1-4/h1H2/i4-1.
What are the key properties of 2-(18F)fluoroacetyl chloride?
2-(18F)fluoroacetyl chloride has a molecular weight of 95.49 g/mol, XLogP of 0.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(18F)fluoroacetyl chloride is sourced from PubChem (CID 24764366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).