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

C7H11Cl2NO2 — CID 11492198

IUPAC2,2-dichloro-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone
SMILESCC1(C)OCCN1C(=O)C(Cl)Cl
InChIInChI=1S/C7H11Cl2NO2/c1-7(2)10(3-4-12-7)6(11)5(8)9/h5H,3-4H2,1-2H3
InChIKeyFOMHMPJALXOZGZ-UHFFFAOYSA-N
MW212.08 g/mol
LogP1.38
Rot. Bonds1

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

2,2-dichloro-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone (PubChem CID 11492198) 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-3-yl)ethanone.

Molecular Properties

Compound Name2,2-dichloro-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone
PubChem CID11492198
Molecular FormulaC7H11Cl2NO2
Molecular Weight212.08 g/mol
Exact Mass211.02
IUPAC Name2,2-dichloro-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone
SMILESCC1(C)OCCN1C(=O)C(Cl)Cl
InChIInChI=1S/C7H11Cl2NO2/c1-7(2)10(3-4-12-7)6(11)5(8)9/h5H,3-4H2,1-2H3
InChIKeyFOMHMPJALXOZGZ-UHFFFAOYSA-N
XLogP1.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.08
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dichloro-1-(2-ethyl-2-methyl-1,3-oxazolidin-3-yl)ethanone
CID 12906840
(E)-1,4-bis(2,2-dimethyl-1,3-oxazolidin-3-yl)but-2-ene-1,4-dione
CID 11150237
2-bromo-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone
CID 147851461
(2S)-2-amino-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)-3-(4-phenylphenyl)propan-1-one
CID 23645383
propan-2-yl 2,2-dimethyl-1,3-oxazolidine-3-carbodithioate
CID 42600798
2,2-dichloro-1-(2-methyl-1,3-dioxolan-2-yl)ethanone
CID 21471052
2,2-dichloro-1-[(4R)-4-ethyl-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone
CID 70676873
2,2-dichloro-1-(2-ethyl-2,5-dimethyl-1,3-oxazolidin-3-yl)ethanone
CID 23043343
bis(2,2-dimethyl-1,3-oxazolidine-3-carbodithioate);bis(triethylazanium)
CID 86736050
2-chloro-1-(3,3-dimethyl-1,4-oxazepan-4-yl)propan-1-one
CID 146095014
tert-butyl 2,2-dimethyl-1,3-oxazolidine-3-carboxylate;N-ethyl-N-methylaniline
CID 143735127
2-(4-bromophenyl)ethenyl 2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 151318040

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone?
The IUPAC name of 2,2-dichloro-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone (CID 11492198) is 2,2-dichloro-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone.
What is the SMILES notation for 2,2-dichloro-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone?
The canonical SMILES for 2,2-dichloro-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone is CC1(C)OCCN1C(=O)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone?
The InChIKey is FOMHMPJALXOZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11Cl2NO2/c1-7(2)10(3-4-12-7)6(11)5(8)9/h5H,3-4H2,1-2H3.
What are the key properties of 2,2-dichloro-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone?
2,2-dichloro-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone has a molecular weight of 212.08 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone is sourced from PubChem (CID 11492198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).