2,2-dichloro-1-[(4R)-4-ethyl-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone

C9H15Cl2NO2 — CID 70676873

IUPAC2,2-dichloro-1-[(4R)-4-ethyl-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone
SMILESCC[C@@H]1COC(C)(C)N1C(=O)C(Cl)Cl
InChIInChI=1S/C9H15Cl2NO2/c1-4-6-5-14-9(2,3)12(6)8(13)7(10)11/h6-7H,4-5H2,1-3H3/t6-/m1/s1
InChIKeyHECCNTMYLXTXFZ-ZCFIWIBFSA-N
MW240.13 g/mol
LogP2.16
Rot. Bonds2

About 2,2-dichloro-1-[(4R)-4-ethyl-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone

2,2-dichloro-1-[(4R)-4-ethyl-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone (PubChem CID 70676873) has the molecular formula C9H15Cl2NO2 and a molecular weight of 240.13 g/mol. Its IUPAC name is 2,2-dichloro-1-[(4R)-4-ethyl-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone.

Molecular Properties

Compound Name2,2-dichloro-1-[(4R)-4-ethyl-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone
PubChem CID70676873
Molecular FormulaC9H15Cl2NO2
Molecular Weight240.13 g/mol
Exact Mass239.05
IUPAC Name2,2-dichloro-1-[(4R)-4-ethyl-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone
SMILESCC[C@@H]1COC(C)(C)N1C(=O)C(Cl)Cl
InChIInChI=1S/C9H15Cl2NO2/c1-4-6-5-14-9(2,3)12(6)8(13)7(10)11/h6-7H,4-5H2,1-3H3/t6-/m1/s1
InChIKeyHECCNTMYLXTXFZ-ZCFIWIBFSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2-dichloro-1-[(4R)-4-ethyl-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone with MolForge

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Related Compounds

4-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 22352321
(4S)-4-(ethylaminomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 90450549
4-ethyl-2,2-dimethyl-N-(4-methylphenyl)sulfonyl-1,3-oxazolidine-3-carboxamide
CID 132519381
1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone
CID 173111081
4-(2-hydroxy-2-methylpropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 67188865
(4S)-4-ethyl-3-[(2S)-2-hydroxy-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]propanoyl]-1,3-oxazolidin-2-one
CID 59079553
2-(benzenesulfonyl)-2-diazo-1-(4-ethyl-2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone
CID 85374801
2-diazo-1-[(4S)-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidin-3-yl]propan-1-one
CID 91102087
tert-butyl (4S)-4-[(2S)-2-hydroxybutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 59173161
4-(2-methoxy-2-oxoethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 67191035
(4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 86705178
2,2-dichloro-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone
CID 11492198

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-[(4R)-4-ethyl-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone?
The IUPAC name of 2,2-dichloro-1-[(4R)-4-ethyl-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone (CID 70676873) is 2,2-dichloro-1-[(4R)-4-ethyl-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone.
What is the SMILES notation for 2,2-dichloro-1-[(4R)-4-ethyl-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone?
The canonical SMILES for 2,2-dichloro-1-[(4R)-4-ethyl-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone is CC[C@@H]1COC(C)(C)N1C(=O)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-1-[(4R)-4-ethyl-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone?
The InChIKey is HECCNTMYLXTXFZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H15Cl2NO2/c1-4-6-5-14-9(2,3)12(6)8(13)7(10)11/h6-7H,4-5H2,1-3H3/t6-/m1/s1.
What are the key properties of 2,2-dichloro-1-[(4R)-4-ethyl-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone?
2,2-dichloro-1-[(4R)-4-ethyl-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone has a molecular weight of 240.13 g/mol, XLogP of 2.16, 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-[(4R)-4-ethyl-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone is sourced from PubChem (CID 70676873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).