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

C7H9BrF3NO2 — CID 82378835

IUPAC5-(bromomethyl)-3-(3,3,3-trifluoropropyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CBr)CN1CCC(F)(F)F
InChIInChI=1S/C7H9BrF3NO2/c8-3-5-4-12(6(13)14-5)2-1-7(9,10)11/h5H,1-4H2
InChIKeyAVWZZKSOXCKXBN-UHFFFAOYSA-N
MW276.05 g/mol
LogP2.15
Rot. Bonds3

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

5-(bromomethyl)-3-(3,3,3-trifluoropropyl)-1,3-oxazolidin-2-one (PubChem CID 82378835) has the molecular formula C7H9BrF3NO2 and a molecular weight of 276.05 g/mol. Its IUPAC name is 5-(bromomethyl)-3-(3,3,3-trifluoropropyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(bromomethyl)-3-(3,3,3-trifluoropropyl)-1,3-oxazolidin-2-one
PubChem CID82378835
Molecular FormulaC7H9BrF3NO2
Molecular Weight276.05 g/mol
Exact Mass274.98
IUPAC Name5-(bromomethyl)-3-(3,3,3-trifluoropropyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CBr)CN1CCC(F)(F)F
InChIInChI=1S/C7H9BrF3NO2/c8-3-5-4-12(6(13)14-5)2-1-7(9,10)11/h5H,1-4H2
InChIKeyAVWZZKSOXCKXBN-UHFFFAOYSA-N
XLogP2.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.05
LogP ≤ 52.15
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-(3,3,3-trifluoropropyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(bromomethyl)-3-(3,3,3-trifluoropropyl)-1,3-oxazolidin-2-one (CID 82378835) is 5-(bromomethyl)-3-(3,3,3-trifluoropropyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(bromomethyl)-3-(3,3,3-trifluoropropyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(bromomethyl)-3-(3,3,3-trifluoropropyl)-1,3-oxazolidin-2-one is O=C1OC(CBr)CN1CCC(F)(F)F.
What is the InChIKey of 5-(bromomethyl)-3-(3,3,3-trifluoropropyl)-1,3-oxazolidin-2-one?
The InChIKey is AVWZZKSOXCKXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrF3NO2/c8-3-5-4-12(6(13)14-5)2-1-7(9,10)11/h5H,1-4H2.
What are the key properties of 5-(bromomethyl)-3-(3,3,3-trifluoropropyl)-1,3-oxazolidin-2-one?
5-(bromomethyl)-3-(3,3,3-trifluoropropyl)-1,3-oxazolidin-2-one has a molecular weight of 276.05 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-3-(3,3,3-trifluoropropyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 82378835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).