2,2-dichloro-1-(2-methyl-2-propan-2-yl-1,3-oxazolidin-3-yl)ethanone

C9H15Cl2NO2 — CID 12906908

IUPAC2,2-dichloro-1-(2-methyl-2-propan-2-yl-1,3-oxazolidin-3-yl)ethanone
SMILESCC(C)C1(C)OCCN1C(=O)C(Cl)Cl
InChIInChI=1S/C9H15Cl2NO2/c1-6(2)9(3)12(4-5-14-9)8(13)7(10)11/h6-7H,4-5H2,1-3H3
InChIKeyFTFSUDRZEMRRGS-UHFFFAOYSA-N
MW240.13 g/mol
LogP2.02
Rot. Bonds2

About 2,2-dichloro-1-(2-methyl-2-propan-2-yl-1,3-oxazolidin-3-yl)ethanone

2,2-dichloro-1-(2-methyl-2-propan-2-yl-1,3-oxazolidin-3-yl)ethanone (PubChem CID 12906908) has the molecular formula C9H15Cl2NO2 and a molecular weight of 240.13 g/mol. Its IUPAC name is 2,2-dichloro-1-(2-methyl-2-propan-2-yl-1,3-oxazolidin-3-yl)ethanone.

Molecular Properties

Compound Name2,2-dichloro-1-(2-methyl-2-propan-2-yl-1,3-oxazolidin-3-yl)ethanone
PubChem CID12906908
Molecular FormulaC9H15Cl2NO2
Molecular Weight240.13 g/mol
Exact Mass239.05
IUPAC Name2,2-dichloro-1-(2-methyl-2-propan-2-yl-1,3-oxazolidin-3-yl)ethanone
SMILESCC(C)C1(C)OCCN1C(=O)C(Cl)Cl
InChIInChI=1S/C9H15Cl2NO2/c1-6(2)9(3)12(4-5-14-9)8(13)7(10)11/h6-7H,4-5H2,1-3H3
InChIKeyFTFSUDRZEMRRGS-UHFFFAOYSA-N
XLogP2.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.13
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methyl-2-propan-2-yl-1,3-oxazolidin-3-yl)ethanone?
The IUPAC name of 2,2-dichloro-1-(2-methyl-2-propan-2-yl-1,3-oxazolidin-3-yl)ethanone (CID 12906908) is 2,2-dichloro-1-(2-methyl-2-propan-2-yl-1,3-oxazolidin-3-yl)ethanone.
What is the SMILES notation for 2,2-dichloro-1-(2-methyl-2-propan-2-yl-1,3-oxazolidin-3-yl)ethanone?
The canonical SMILES for 2,2-dichloro-1-(2-methyl-2-propan-2-yl-1,3-oxazolidin-3-yl)ethanone is CC(C)C1(C)OCCN1C(=O)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-1-(2-methyl-2-propan-2-yl-1,3-oxazolidin-3-yl)ethanone?
The InChIKey is FTFSUDRZEMRRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl2NO2/c1-6(2)9(3)12(4-5-14-9)8(13)7(10)11/h6-7H,4-5H2,1-3H3.
What are the key properties of 2,2-dichloro-1-(2-methyl-2-propan-2-yl-1,3-oxazolidin-3-yl)ethanone?
2,2-dichloro-1-(2-methyl-2-propan-2-yl-1,3-oxazolidin-3-yl)ethanone has a molecular weight of 240.13 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-(2-methyl-2-propan-2-yl-1,3-oxazolidin-3-yl)ethanone is sourced from PubChem (CID 12906908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).