(2R,5R)-2-ethyl-2-methyl-5-(trichloromethyl)-1,3-oxazolidin-4-one

C7H10Cl3NO2 — CID 95562004

IUPAC(2R,5R)-2-ethyl-2-methyl-5-(trichloromethyl)-1,3-oxazolidin-4-one
SMILESCC[C@]1(C)NC(=O)[C@H](C(Cl)(Cl)Cl)O1
InChIInChI=1S/C7H10Cl3NO2/c1-3-6(2)11-5(12)4(13-6)7(8,9)10/h4H,3H2,1-2H3,(H,11,12)/t4-,6-/m1/s1
InChIKeyLGAGUEXDOQZRKH-INEUFUBQSA-N
MW246.52 g/mol
LogP2.00
Rot. Bonds1

About (2R,5R)-2-ethyl-2-methyl-5-(trichloromethyl)-1,3-oxazolidin-4-one

(2R,5R)-2-ethyl-2-methyl-5-(trichloromethyl)-1,3-oxazolidin-4-one (PubChem CID 95562004) has the molecular formula C7H10Cl3NO2 and a molecular weight of 246.52 g/mol. Its IUPAC name is (2R,5R)-2-ethyl-2-methyl-5-(trichloromethyl)-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name(2R,5R)-2-ethyl-2-methyl-5-(trichloromethyl)-1,3-oxazolidin-4-one
PubChem CID95562004
Molecular FormulaC7H10Cl3NO2
Molecular Weight246.52 g/mol
Exact Mass244.98
IUPAC Name(2R,5R)-2-ethyl-2-methyl-5-(trichloromethyl)-1,3-oxazolidin-4-one
SMILESCC[C@]1(C)NC(=O)[C@H](C(Cl)(Cl)Cl)O1
InChIInChI=1S/C7H10Cl3NO2/c1-3-6(2)11-5(12)4(13-6)7(8,9)10/h4H,3H2,1-2H3,(H,11,12)/t4-,6-/m1/s1
InChIKeyLGAGUEXDOQZRKH-INEUFUBQSA-N
XLogP2.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.52
LogP ≤ 52.00
H-Bond Donors ≤ 51
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 (2R,5R)-2-ethyl-2-methyl-5-(trichloromethyl)-1,3-oxazolidin-4-one?
The IUPAC name of (2R,5R)-2-ethyl-2-methyl-5-(trichloromethyl)-1,3-oxazolidin-4-one (CID 95562004) is (2R,5R)-2-ethyl-2-methyl-5-(trichloromethyl)-1,3-oxazolidin-4-one.
What is the SMILES notation for (2R,5R)-2-ethyl-2-methyl-5-(trichloromethyl)-1,3-oxazolidin-4-one?
The canonical SMILES for (2R,5R)-2-ethyl-2-methyl-5-(trichloromethyl)-1,3-oxazolidin-4-one is CC[C@]1(C)NC(=O)[C@H](C(Cl)(Cl)Cl)O1.
What is the InChIKey of (2R,5R)-2-ethyl-2-methyl-5-(trichloromethyl)-1,3-oxazolidin-4-one?
The InChIKey is LGAGUEXDOQZRKH-INEUFUBQSA-N. The full InChI is InChI=1S/C7H10Cl3NO2/c1-3-6(2)11-5(12)4(13-6)7(8,9)10/h4H,3H2,1-2H3,(H,11,12)/t4-,6-/m1/s1.
What are the key properties of (2R,5R)-2-ethyl-2-methyl-5-(trichloromethyl)-1,3-oxazolidin-4-one?
(2R,5R)-2-ethyl-2-methyl-5-(trichloromethyl)-1,3-oxazolidin-4-one has a molecular weight of 246.52 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-ethyl-2-methyl-5-(trichloromethyl)-1,3-oxazolidin-4-one is sourced from PubChem (CID 95562004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).