5-(chloromethyl)-3-(1,2,2-trifluoroethoxy)-1,2-oxazole

C6H5ClF3NO2 — CID 23367087

IUPAC5-(chloromethyl)-3-(1,2,2-trifluoroethoxy)-1,2-oxazole
SMILESFC(F)C(F)Oc1cc(CCl)on1
InChIInChI=1S/C6H5ClF3NO2/c7-2-3-1-4(11-13-3)12-6(10)5(8)9/h1,5-6H,2H2
InChIKeySXMSQKUBNKPUQQ-UHFFFAOYSA-N
MW215.56 g/mol
LogP2.35
Rot. Bonds4

About 5-(chloromethyl)-3-(1,2,2-trifluoroethoxy)-1,2-oxazole

5-(chloromethyl)-3-(1,2,2-trifluoroethoxy)-1,2-oxazole (PubChem CID 23367087) has the molecular formula C6H5ClF3NO2 and a molecular weight of 215.56 g/mol. Its IUPAC name is 5-(chloromethyl)-3-(1,2,2-trifluoroethoxy)-1,2-oxazole.

Molecular Properties

Compound Name5-(chloromethyl)-3-(1,2,2-trifluoroethoxy)-1,2-oxazole
PubChem CID23367087
Molecular FormulaC6H5ClF3NO2
Molecular Weight215.56 g/mol
Exact Mass215.00
IUPAC Name5-(chloromethyl)-3-(1,2,2-trifluoroethoxy)-1,2-oxazole
SMILESFC(F)C(F)Oc1cc(CCl)on1
InChIInChI=1S/C6H5ClF3NO2/c7-2-3-1-4(11-13-3)12-6(10)5(8)9/h1,5-6H,2H2
InChIKeySXMSQKUBNKPUQQ-UHFFFAOYSA-N
XLogP2.35
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.56
LogP ≤ 52.35
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 5-(chloromethyl)-3-(1,2,2-trifluoroethoxy)-1,2-oxazole?
The IUPAC name of 5-(chloromethyl)-3-(1,2,2-trifluoroethoxy)-1,2-oxazole (CID 23367087) is 5-(chloromethyl)-3-(1,2,2-trifluoroethoxy)-1,2-oxazole.
What is the SMILES notation for 5-(chloromethyl)-3-(1,2,2-trifluoroethoxy)-1,2-oxazole?
The canonical SMILES for 5-(chloromethyl)-3-(1,2,2-trifluoroethoxy)-1,2-oxazole is FC(F)C(F)Oc1cc(CCl)on1.
What is the InChIKey of 5-(chloromethyl)-3-(1,2,2-trifluoroethoxy)-1,2-oxazole?
The InChIKey is SXMSQKUBNKPUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF3NO2/c7-2-3-1-4(11-13-3)12-6(10)5(8)9/h1,5-6H,2H2.
What are the key properties of 5-(chloromethyl)-3-(1,2,2-trifluoroethoxy)-1,2-oxazole?
5-(chloromethyl)-3-(1,2,2-trifluoroethoxy)-1,2-oxazole has a molecular weight of 215.56 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-3-(1,2,2-trifluoroethoxy)-1,2-oxazole is sourced from PubChem (CID 23367087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).