2-iodoacetyl chloride

C2H2ClIO — CID 3084680

IUPAC2-iodoacetyl chloride
SMILESO=C(Cl)CI
InChIInChI=1S/C2H2ClIO/c3-2(5)1-4/h1H2
InChIKeyBSVMPWANOMFSPR-UHFFFAOYSA-N
MW204.39 g/mol
LogP1.19
Rot. Bonds1

About 2-iodoacetyl chloride

2-iodoacetyl chloride (PubChem CID 3084680) has the molecular formula C2H2ClIO and a molecular weight of 204.39 g/mol. Its IUPAC name is 2-iodoacetyl chloride.

Molecular Properties

Compound Name2-iodoacetyl chloride
PubChem CID3084680
Molecular FormulaC2H2ClIO
Molecular Weight204.39 g/mol
Exact Mass203.88
IUPAC Name2-iodoacetyl chloride
SMILESO=C(Cl)CI
InChIInChI=1S/C2H2ClIO/c3-2(5)1-4/h1H2
InChIKeyBSVMPWANOMFSPR-UHFFFAOYSA-N
XLogP1.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.39
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-iodoacetyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-iodoacetyl chloride?
The IUPAC name of 2-iodoacetyl chloride (CID 3084680) is 2-iodoacetyl chloride.
What is the SMILES notation for 2-iodoacetyl chloride?
The canonical SMILES for 2-iodoacetyl chloride is O=C(Cl)CI.
What is the InChIKey of 2-iodoacetyl chloride?
The InChIKey is BSVMPWANOMFSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2ClIO/c3-2(5)1-4/h1H2.
What are the key properties of 2-iodoacetyl chloride?
2-iodoacetyl chloride has a molecular weight of 204.39 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodoacetyl chloride is sourced from PubChem (CID 3084680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).