2-(1-chloroethyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole

C7H7ClF3NO — CID 65179583

IUPAC2-(1-chloroethyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole
SMILESCC(Cl)c1ncc(CC(F)(F)F)o1
InChIInChI=1S/C7H7ClF3NO/c1-4(8)6-12-3-5(13-6)2-7(9,10)11/h3-4H,2H2,1H3
InChIKeyQFBIAQGDHRBIHN-UHFFFAOYSA-N
MW213.59 g/mol
LogP3.08
Rot. Bonds2

About 2-(1-chloroethyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole

2-(1-chloroethyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole (PubChem CID 65179583) has the molecular formula C7H7ClF3NO and a molecular weight of 213.59 g/mol. Its IUPAC name is 2-(1-chloroethyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole
PubChem CID65179583
Molecular FormulaC7H7ClF3NO
Molecular Weight213.59 g/mol
Exact Mass213.02
IUPAC Name2-(1-chloroethyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole
SMILESCC(Cl)c1ncc(CC(F)(F)F)o1
InChIInChI=1S/C7H7ClF3NO/c1-4(8)6-12-3-5(13-6)2-7(9,10)11/h3-4H,2H2,1H3
InChIKeyQFBIAQGDHRBIHN-UHFFFAOYSA-N
XLogP3.08
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.59
LogP ≤ 53.08
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 2-(1-chloroethyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole?
The IUPAC name of 2-(1-chloroethyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole (CID 65179583) is 2-(1-chloroethyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole.
What is the SMILES notation for 2-(1-chloroethyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole?
The canonical SMILES for 2-(1-chloroethyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole is CC(Cl)c1ncc(CC(F)(F)F)o1.
What is the InChIKey of 2-(1-chloroethyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole?
The InChIKey is QFBIAQGDHRBIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF3NO/c1-4(8)6-12-3-5(13-6)2-7(9,10)11/h3-4H,2H2,1H3.
What are the key properties of 2-(1-chloroethyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole?
2-(1-chloroethyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole has a molecular weight of 213.59 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole is sourced from PubChem (CID 65179583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).