3-(2-bromo-2,2-difluoroethyl)-1,3-oxazolidin-2-one

C5H6BrF2NO2 — CID 135039559

IUPAC3-(2-bromo-2,2-difluoroethyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CC(F)(F)Br
InChIInChI=1S/C5H6BrF2NO2/c6-5(7,8)3-9-1-2-11-4(9)10/h1-3H2
InChIKeyDIHWPPKXESHHKE-UHFFFAOYSA-N
MW230.01 g/mol
LogP1.43
Rot. Bonds2

About 3-(2-bromo-2,2-difluoroethyl)-1,3-oxazolidin-2-one

3-(2-bromo-2,2-difluoroethyl)-1,3-oxazolidin-2-one (PubChem CID 135039559) has the molecular formula C5H6BrF2NO2 and a molecular weight of 230.01 g/mol. Its IUPAC name is 3-(2-bromo-2,2-difluoroethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-bromo-2,2-difluoroethyl)-1,3-oxazolidin-2-one
PubChem CID135039559
Molecular FormulaC5H6BrF2NO2
Molecular Weight230.01 g/mol
Exact Mass228.95
IUPAC Name3-(2-bromo-2,2-difluoroethyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CC(F)(F)Br
InChIInChI=1S/C5H6BrF2NO2/c6-5(7,8)3-9-1-2-11-4(9)10/h1-3H2
InChIKeyDIHWPPKXESHHKE-UHFFFAOYSA-N
XLogP1.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.01
LogP ≤ 51.43
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

3-(2-Bromoethyl)-1,3-oxazolidin-2-one
CID 22757234
3-(2,2,2-Trifluoroethyl)-1,3-oxazolidin-2-one
CID 119097004
3-(3-Bromo-3,3-difluoropropanoyl)-1,3-oxazolidin-2-one
CID 102382245
3-(Trifluoroacetyl)-1,3-oxazolidin-2-one
CID 45080818
4,4-Difluoro-3-methyl-1,3-oxazolidin-2-one
CID 11506462
4,5-Difluoro-3-methyl-1,3-oxazolidin-2-one
CID 11535571
3-(Trifluoromethyl)-1,3-oxazolidin-2-one
CID 12548143
3-(Difluoromethyl)-1,3-oxazolidin-2-one
CID 67260106
3-(Fluoromethyl)-1,3-oxazolidin-2-one
CID 67519298
3-(2,2-Difluoroethyl)-1,3-oxazolidin-2-one
CID 87327076
3-(2-Fluoroethyl)-1,3-oxazolidin-2-one
CID 87327077
5-(Bromomethyl)-3-(3,3,3-trifluoropropyl)-1,3-oxazolidin-2-one
CID 82378835

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-2,2-difluoroethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-bromo-2,2-difluoroethyl)-1,3-oxazolidin-2-one (CID 135039559) is 3-(2-bromo-2,2-difluoroethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-bromo-2,2-difluoroethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-bromo-2,2-difluoroethyl)-1,3-oxazolidin-2-one is O=C1OCCN1CC(F)(F)Br.
What is the InChIKey of 3-(2-bromo-2,2-difluoroethyl)-1,3-oxazolidin-2-one?
The InChIKey is DIHWPPKXESHHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrF2NO2/c6-5(7,8)3-9-1-2-11-4(9)10/h1-3H2.
What are the key properties of 3-(2-bromo-2,2-difluoroethyl)-1,3-oxazolidin-2-one?
3-(2-bromo-2,2-difluoroethyl)-1,3-oxazolidin-2-one has a molecular weight of 230.01 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-2,2-difluoroethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 135039559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).