[2-(dichloroamino)-2-methylpropyl] 2-methylpropanoate

C8H15Cl2NO2 — CID 54560642

IUPAC[2-(dichloroamino)-2-methylpropyl] 2-methylpropanoate
SMILESCC(C)C(=O)OCC(C)(C)N(Cl)Cl
InChIInChI=1S/C8H15Cl2NO2/c1-6(2)7(12)13-5-8(3,4)11(9)10/h6H,5H2,1-4H3
InChIKeyZQHHPXZGKKLGMX-UHFFFAOYSA-N
MW228.12 g/mol
LogP2.57
Rot. Bonds4

About [2-(dichloroamino)-2-methylpropyl] 2-methylpropanoate

[2-(dichloroamino)-2-methylpropyl] 2-methylpropanoate (PubChem CID 54560642) has the molecular formula C8H15Cl2NO2 and a molecular weight of 228.12 g/mol. Its IUPAC name is [2-(dichloroamino)-2-methylpropyl] 2-methylpropanoate.

Molecular Properties

Compound Name[2-(dichloroamino)-2-methylpropyl] 2-methylpropanoate
PubChem CID54560642
Molecular FormulaC8H15Cl2NO2
Molecular Weight228.12 g/mol
Exact Mass227.05
IUPAC Name[2-(dichloroamino)-2-methylpropyl] 2-methylpropanoate
SMILESCC(C)C(=O)OCC(C)(C)N(Cl)Cl
InChIInChI=1S/C8H15Cl2NO2/c1-6(2)7(12)13-5-8(3,4)11(9)10/h6H,5H2,1-4H3
InChIKeyZQHHPXZGKKLGMX-UHFFFAOYSA-N
XLogP2.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.12
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(dichloroamino)-2-methylpropyl] 2-methylpropanoate?
The IUPAC name of [2-(dichloroamino)-2-methylpropyl] 2-methylpropanoate (CID 54560642) is [2-(dichloroamino)-2-methylpropyl] 2-methylpropanoate.
What is the SMILES notation for [2-(dichloroamino)-2-methylpropyl] 2-methylpropanoate?
The canonical SMILES for [2-(dichloroamino)-2-methylpropyl] 2-methylpropanoate is CC(C)C(=O)OCC(C)(C)N(Cl)Cl.
What is the InChIKey of [2-(dichloroamino)-2-methylpropyl] 2-methylpropanoate?
The InChIKey is ZQHHPXZGKKLGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Cl2NO2/c1-6(2)7(12)13-5-8(3,4)11(9)10/h6H,5H2,1-4H3.
What are the key properties of [2-(dichloroamino)-2-methylpropyl] 2-methylpropanoate?
[2-(dichloroamino)-2-methylpropyl] 2-methylpropanoate has a molecular weight of 228.12 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dichloroamino)-2-methylpropyl] 2-methylpropanoate is sourced from PubChem (CID 54560642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).