2,2-dichloro-1-(2,2-dimethyl-1,3-oxazolidin-4-yl)ethanone

C7H11Cl2NO2 — CID 165388228

IUPAC2,2-dichloro-1-(2,2-dimethyl-1,3-oxazolidin-4-yl)ethanone
SMILESCC1(C)NC(C(=O)C(Cl)Cl)CO1
InChIInChI=1S/C7H11Cl2NO2/c1-7(2)10-4(3-12-7)5(11)6(8)9/h4,6,10H,3H2,1-2H3
InChIKeySDMHCZWRNJGFPZ-UHFFFAOYSA-N
MW212.08 g/mol
LogP1.08
Rot. Bonds2

About 2,2-dichloro-1-(2,2-dimethyl-1,3-oxazolidin-4-yl)ethanone

2,2-dichloro-1-(2,2-dimethyl-1,3-oxazolidin-4-yl)ethanone (PubChem CID 165388228) has the molecular formula C7H11Cl2NO2 and a molecular weight of 212.08 g/mol. Its IUPAC name is 2,2-dichloro-1-(2,2-dimethyl-1,3-oxazolidin-4-yl)ethanone.

Molecular Properties

Compound Name2,2-dichloro-1-(2,2-dimethyl-1,3-oxazolidin-4-yl)ethanone
PubChem CID165388228
Molecular FormulaC7H11Cl2NO2
Molecular Weight212.08 g/mol
Exact Mass211.02
IUPAC Name2,2-dichloro-1-(2,2-dimethyl-1,3-oxazolidin-4-yl)ethanone
SMILESCC1(C)NC(C(=O)C(Cl)Cl)CO1
InChIInChI=1S/C7H11Cl2NO2/c1-7(2)10-4(3-12-7)5(11)6(8)9/h4,6,10H,3H2,1-2H3
InChIKeySDMHCZWRNJGFPZ-UHFFFAOYSA-N
XLogP1.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.08
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-(2,2-dimethyl-1,3-oxazolidin-4-yl)ethanone?
The IUPAC name of 2,2-dichloro-1-(2,2-dimethyl-1,3-oxazolidin-4-yl)ethanone (CID 165388228) is 2,2-dichloro-1-(2,2-dimethyl-1,3-oxazolidin-4-yl)ethanone.
What is the SMILES notation for 2,2-dichloro-1-(2,2-dimethyl-1,3-oxazolidin-4-yl)ethanone?
The canonical SMILES for 2,2-dichloro-1-(2,2-dimethyl-1,3-oxazolidin-4-yl)ethanone is CC1(C)NC(C(=O)C(Cl)Cl)CO1.
What is the InChIKey of 2,2-dichloro-1-(2,2-dimethyl-1,3-oxazolidin-4-yl)ethanone?
The InChIKey is SDMHCZWRNJGFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11Cl2NO2/c1-7(2)10-4(3-12-7)5(11)6(8)9/h4,6,10H,3H2,1-2H3.
What are the key properties of 2,2-dichloro-1-(2,2-dimethyl-1,3-oxazolidin-4-yl)ethanone?
2,2-dichloro-1-(2,2-dimethyl-1,3-oxazolidin-4-yl)ethanone has a molecular weight of 212.08 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-(2,2-dimethyl-1,3-oxazolidin-4-yl)ethanone is sourced from PubChem (CID 165388228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).