2-(iodoamino)-2-methylpropanoyl chloride

C4H7ClINO — CID 88936638

IUPAC2-(iodoamino)-2-methylpropanoyl chloride
SMILESCC(C)(NI)C(=O)Cl
InChIInChI=1S/C4H7ClINO/c1-4(2,7-6)3(5)8/h7H,1-2H3
InChIKeyVFORKCDHEQGFID-UHFFFAOYSA-N
MW247.46 g/mol
LogP1.47
Rot. Bonds2

About 2-(iodoamino)-2-methylpropanoyl chloride

2-(iodoamino)-2-methylpropanoyl chloride (PubChem CID 88936638) has the molecular formula C4H7ClINO and a molecular weight of 247.46 g/mol. Its IUPAC name is 2-(iodoamino)-2-methylpropanoyl chloride.

Molecular Properties

Compound Name2-(iodoamino)-2-methylpropanoyl chloride
PubChem CID88936638
Molecular FormulaC4H7ClINO
Molecular Weight247.46 g/mol
Exact Mass246.93
IUPAC Name2-(iodoamino)-2-methylpropanoyl chloride
SMILESCC(C)(NI)C(=O)Cl
InChIInChI=1S/C4H7ClINO/c1-4(2,7-6)3(5)8/h7H,1-2H3
InChIKeyVFORKCDHEQGFID-UHFFFAOYSA-N
XLogP1.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.46
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(iodoamino)-2-methylpropanoyl chloride?
The IUPAC name of 2-(iodoamino)-2-methylpropanoyl chloride (CID 88936638) is 2-(iodoamino)-2-methylpropanoyl chloride.
What is the SMILES notation for 2-(iodoamino)-2-methylpropanoyl chloride?
The canonical SMILES for 2-(iodoamino)-2-methylpropanoyl chloride is CC(C)(NI)C(=O)Cl.
What is the InChIKey of 2-(iodoamino)-2-methylpropanoyl chloride?
The InChIKey is VFORKCDHEQGFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClINO/c1-4(2,7-6)3(5)8/h7H,1-2H3.
What are the key properties of 2-(iodoamino)-2-methylpropanoyl chloride?
2-(iodoamino)-2-methylpropanoyl chloride has a molecular weight of 247.46 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodoamino)-2-methylpropanoyl chloride is sourced from PubChem (CID 88936638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).