4-(chloromethyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole

C6H5ClF3NO — CID 79154135

IUPAC4-(chloromethyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole
SMILESFC(F)(F)Cc1ocnc1CCl
InChIInChI=1S/C6H5ClF3NO/c7-2-4-5(12-3-11-4)1-6(8,9)10/h3H,1-2H2
InChIKeyCSDBZSVRWSYMRQ-UHFFFAOYSA-N
MW199.56 g/mol
LogP2.52
Rot. Bonds2

About 4-(chloromethyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole

4-(chloromethyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole (PubChem CID 79154135) has the molecular formula C6H5ClF3NO and a molecular weight of 199.56 g/mol. Its IUPAC name is 4-(chloromethyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(chloromethyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole
PubChem CID79154135
Molecular FormulaC6H5ClF3NO
Molecular Weight199.56 g/mol
Exact Mass199.00
IUPAC Name4-(chloromethyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole
SMILESFC(F)(F)Cc1ocnc1CCl
InChIInChI=1S/C6H5ClF3NO/c7-2-4-5(12-3-11-4)1-6(8,9)10/h3H,1-2H2
InChIKeyCSDBZSVRWSYMRQ-UHFFFAOYSA-N
XLogP2.52
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.56
LogP ≤ 52.52
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 4-(chloromethyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole?
The IUPAC name of 4-(chloromethyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole (CID 79154135) is 4-(chloromethyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole.
What is the SMILES notation for 4-(chloromethyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole?
The canonical SMILES for 4-(chloromethyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole is FC(F)(F)Cc1ocnc1CCl.
What is the InChIKey of 4-(chloromethyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole?
The InChIKey is CSDBZSVRWSYMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF3NO/c7-2-4-5(12-3-11-4)1-6(8,9)10/h3H,1-2H2.
What are the key properties of 4-(chloromethyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole?
4-(chloromethyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole has a molecular weight of 199.56 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole is sourced from PubChem (CID 79154135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).