2,3-dichloro-2,4,4-trimethyl-1,3-oxazolidine

C6H11Cl2NO — CID 175443076

IUPAC2,3-dichloro-2,4,4-trimethyl-1,3-oxazolidine
SMILESCC1(C)COC(C)(Cl)N1Cl
InChIInChI=1S/C6H11Cl2NO/c1-5(2)4-10-6(3,7)9(5)8/h4H2,1-3H3
InChIKeyJIXKSKMFVXQZTG-UHFFFAOYSA-N
MW184.07 g/mol
LogP2.16
Rot. Bonds

About 2,3-dichloro-2,4,4-trimethyl-1,3-oxazolidine

2,3-dichloro-2,4,4-trimethyl-1,3-oxazolidine (PubChem CID 175443076) has the molecular formula C6H11Cl2NO and a molecular weight of 184.07 g/mol. Its IUPAC name is 2,3-dichloro-2,4,4-trimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name2,3-dichloro-2,4,4-trimethyl-1,3-oxazolidine
PubChem CID175443076
Molecular FormulaC6H11Cl2NO
Molecular Weight184.07 g/mol
Exact Mass183.02
IUPAC Name2,3-dichloro-2,4,4-trimethyl-1,3-oxazolidine
SMILESCC1(C)COC(C)(Cl)N1Cl
InChIInChI=1S/C6H11Cl2NO/c1-5(2)4-10-6(3,7)9(5)8/h4H2,1-3H3
InChIKeyJIXKSKMFVXQZTG-UHFFFAOYSA-N
XLogP2.16
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.07
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-2-methyloxirane
CID 15120421
2-(3-chloro-2,4,4-trimethyl-1,3-oxazolidin-2-yl)-N,N-diethylethanamine
CID 54515899
1-chloro-2,2,3,3-tetramethylaziridine
CID 12568316
2-methanidyl-2-methyloxirane;rutherfordium
CID 58802922
1,2,2,9,10,10-hexamethyl-4,12-dioxa-1,9-diazadispiro[4.2.48.25]tetradecane
CID 22983332
3-(1-aminoethyl)-4,4-dimethyl-1,3-oxazolidin-2-one
CID 145346224
4-methyl-2,6-dioxa-7-aza-1-borabicyclo[2.2.2]octan-7-amine
CID 89144758
(4S)-4-carbamoyl-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylic acid
CID 118308757
1-(3-chloro-2,4,4-trimethyl-1,3-oxazinan-2-yl)-N,N-diethylpropan-1-amine
CID 21410982
2,2-dimethyl-5,5-dipropyl-1,3-dioxane
CID 15153766
1-chloro-2,2,5,5-tetramethylimidazolidine
CID 139832328
ethyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 19755076

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-2,4,4-trimethyl-1,3-oxazolidine?
The IUPAC name of 2,3-dichloro-2,4,4-trimethyl-1,3-oxazolidine (CID 175443076) is 2,3-dichloro-2,4,4-trimethyl-1,3-oxazolidine.
What is the SMILES notation for 2,3-dichloro-2,4,4-trimethyl-1,3-oxazolidine?
The canonical SMILES for 2,3-dichloro-2,4,4-trimethyl-1,3-oxazolidine is CC1(C)COC(C)(Cl)N1Cl.
What is the InChIKey of 2,3-dichloro-2,4,4-trimethyl-1,3-oxazolidine?
The InChIKey is JIXKSKMFVXQZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Cl2NO/c1-5(2)4-10-6(3,7)9(5)8/h4H2,1-3H3.
What are the key properties of 2,3-dichloro-2,4,4-trimethyl-1,3-oxazolidine?
2,3-dichloro-2,4,4-trimethyl-1,3-oxazolidine has a molecular weight of 184.07 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-2,4,4-trimethyl-1,3-oxazolidine is sourced from PubChem (CID 175443076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).