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

C7H7ClF3NO — CID 65179988

IUPAC2-(2-chloroethyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole
SMILESFC(F)(F)Cc1cnc(CCCl)o1
InChIInChI=1S/C7H7ClF3NO/c8-2-1-6-12-4-5(13-6)3-7(9,10)11/h4H,1-3H2
InChIKeyUBUDAOPEECSTKL-UHFFFAOYSA-N
MW213.59 g/mol
LogP2.56
Rot. Bonds3

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

2-(2-chloroethyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole (PubChem CID 65179988) has the molecular formula C7H7ClF3NO and a molecular weight of 213.59 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole
PubChem CID65179988
Molecular FormulaC7H7ClF3NO
Molecular Weight213.59 g/mol
Exact Mass213.02
IUPAC Name2-(2-chloroethyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole
SMILESFC(F)(F)Cc1cnc(CCCl)o1
InChIInChI=1S/C7H7ClF3NO/c8-2-1-6-12-4-5(13-6)3-7(9,10)11/h4H,1-3H2
InChIKeyUBUDAOPEECSTKL-UHFFFAOYSA-N
XLogP2.56
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.59
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(2-chloroethyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole?
The IUPAC name of 2-(2-chloroethyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole (CID 65179988) is 2-(2-chloroethyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole?
The canonical SMILES for 2-(2-chloroethyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole is FC(F)(F)Cc1cnc(CCCl)o1.
What is the InChIKey of 2-(2-chloroethyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole?
The InChIKey is UBUDAOPEECSTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF3NO/c8-2-1-6-12-4-5(13-6)3-7(9,10)11/h4H,1-3H2.
What are the key properties of 2-(2-chloroethyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole?
2-(2-chloroethyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole has a molecular weight of 213.59 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole is sourced from PubChem (CID 65179988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).