5-(bromomethyl)-3-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one

C6H7BrF3NO2 — CID 82380058

IUPAC5-(bromomethyl)-3-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CBr)CN1CC(F)(F)F
InChIInChI=1S/C6H7BrF3NO2/c7-1-4-2-11(5(12)13-4)3-6(8,9)10/h4H,1-3H2
InChIKeyQPVXJLBHEFVPHJ-UHFFFAOYSA-N
MW262.02 g/mol
LogP1.76
Rot. Bonds2

About 5-(bromomethyl)-3-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one

5-(bromomethyl)-3-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one (PubChem CID 82380058) has the molecular formula C6H7BrF3NO2 and a molecular weight of 262.02 g/mol. Its IUPAC name is 5-(bromomethyl)-3-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(bromomethyl)-3-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one
PubChem CID82380058
Molecular FormulaC6H7BrF3NO2
Molecular Weight262.02 g/mol
Exact Mass260.96
IUPAC Name5-(bromomethyl)-3-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CBr)CN1CC(F)(F)F
InChIInChI=1S/C6H7BrF3NO2/c7-1-4-2-11(5(12)13-4)3-6(8,9)10/h4H,1-3H2
InChIKeyQPVXJLBHEFVPHJ-UHFFFAOYSA-N
XLogP1.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.02
LogP ≤ 51.76
H-Bond Donors ≤ 50
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-(bromomethyl)-3-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(bromomethyl)-3-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one (CID 82380058) is 5-(bromomethyl)-3-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(bromomethyl)-3-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(bromomethyl)-3-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one is O=C1OC(CBr)CN1CC(F)(F)F.
What is the InChIKey of 5-(bromomethyl)-3-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one?
The InChIKey is QPVXJLBHEFVPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrF3NO2/c7-1-4-2-11(5(12)13-4)3-6(8,9)10/h4H,1-3H2.
What are the key properties of 5-(bromomethyl)-3-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one?
5-(bromomethyl)-3-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one has a molecular weight of 262.02 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-3-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 82380058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).