4-(bromomethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,3-oxazole

C7H7BrF3NO2 — CID 103213597

IUPAC4-(bromomethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,3-oxazole
SMILESFC(F)(F)COCc1ocnc1CBr
InChIInChI=1S/C7H7BrF3NO2/c8-1-5-6(14-4-12-5)2-13-3-7(9,10)11/h4H,1-3H2
InChIKeyGOEIVJSKXHWFPS-UHFFFAOYSA-N
MW274.04 g/mol
LogP2.65
Rot. Bonds4

About 4-(bromomethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,3-oxazole

4-(bromomethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,3-oxazole (PubChem CID 103213597) has the molecular formula C7H7BrF3NO2 and a molecular weight of 274.04 g/mol. Its IUPAC name is 4-(bromomethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(bromomethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,3-oxazole
PubChem CID103213597
Molecular FormulaC7H7BrF3NO2
Molecular Weight274.04 g/mol
Exact Mass272.96
IUPAC Name4-(bromomethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,3-oxazole
SMILESFC(F)(F)COCc1ocnc1CBr
InChIInChI=1S/C7H7BrF3NO2/c8-1-5-6(14-4-12-5)2-13-3-7(9,10)11/h4H,1-3H2
InChIKeyGOEIVJSKXHWFPS-UHFFFAOYSA-N
XLogP2.65
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.04
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-(bromomethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,3-oxazole?
The IUPAC name of 4-(bromomethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,3-oxazole (CID 103213597) is 4-(bromomethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,3-oxazole.
What is the SMILES notation for 4-(bromomethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,3-oxazole?
The canonical SMILES for 4-(bromomethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,3-oxazole is FC(F)(F)COCc1ocnc1CBr.
What is the InChIKey of 4-(bromomethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,3-oxazole?
The InChIKey is GOEIVJSKXHWFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF3NO2/c8-1-5-6(14-4-12-5)2-13-3-7(9,10)11/h4H,1-3H2.
What are the key properties of 4-(bromomethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,3-oxazole?
4-(bromomethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,3-oxazole has a molecular weight of 274.04 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,3-oxazole is sourced from PubChem (CID 103213597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).