5-(trichloromethyl)-1,3-oxazolidin-2-one

C4H4Cl3NO2 — CID 13024514

IUPAC5-(trichloromethyl)-1,3-oxazolidin-2-one
SMILESO=C1NCC(C(Cl)(Cl)Cl)O1
InChIInChI=1S/C4H4Cl3NO2/c5-4(6,7)2-1-8-3(9)10-2/h2H,1H2,(H,8,9)
InChIKeyTVFIDJGUGVKEJD-UHFFFAOYSA-N
MW204.44 g/mol
LogP1.47
Rot. Bonds

About 5-(trichloromethyl)-1,3-oxazolidin-2-one

5-(trichloromethyl)-1,3-oxazolidin-2-one (PubChem CID 13024514) has the molecular formula C4H4Cl3NO2 and a molecular weight of 204.44 g/mol. Its IUPAC name is 5-(trichloromethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(trichloromethyl)-1,3-oxazolidin-2-one
PubChem CID13024514
Molecular FormulaC4H4Cl3NO2
Molecular Weight204.44 g/mol
Exact Mass202.93
IUPAC Name5-(trichloromethyl)-1,3-oxazolidin-2-one
SMILESO=C1NCC(C(Cl)(Cl)Cl)O1
InChIInChI=1S/C4H4Cl3NO2/c5-4(6,7)2-1-8-3(9)10-2/h2H,1H2,(H,8,9)
InChIKeyTVFIDJGUGVKEJD-UHFFFAOYSA-N
XLogP1.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.44
LogP ≤ 51.47
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 5-(trichloromethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(trichloromethyl)-1,3-oxazolidin-2-one (CID 13024514) is 5-(trichloromethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(trichloromethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(trichloromethyl)-1,3-oxazolidin-2-one is O=C1NCC(C(Cl)(Cl)Cl)O1.
What is the InChIKey of 5-(trichloromethyl)-1,3-oxazolidin-2-one?
The InChIKey is TVFIDJGUGVKEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4Cl3NO2/c5-4(6,7)2-1-8-3(9)10-2/h2H,1H2,(H,8,9).
What are the key properties of 5-(trichloromethyl)-1,3-oxazolidin-2-one?
5-(trichloromethyl)-1,3-oxazolidin-2-one has a molecular weight of 204.44 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trichloromethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 13024514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).