2-(2-chloroethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole

C9H11ClF3NO2 — CID 103213136

IUPAC2-(2-chloroethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole
SMILESFC(F)(F)COCCc1cnc(CCCl)o1
InChIInChI=1S/C9H11ClF3NO2/c10-3-1-8-14-5-7(16-8)2-4-15-6-9(11,12)13/h5H,1-4,6H2
InChIKeyQEYMXFYYPWGIAD-UHFFFAOYSA-N
MW257.64 g/mol
LogP2.58
Rot. Bonds6

About 2-(2-chloroethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole

2-(2-chloroethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole (PubChem CID 103213136) has the molecular formula C9H11ClF3NO2 and a molecular weight of 257.64 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole
PubChem CID103213136
Molecular FormulaC9H11ClF3NO2
Molecular Weight257.64 g/mol
Exact Mass257.04
IUPAC Name2-(2-chloroethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole
SMILESFC(F)(F)COCCc1cnc(CCCl)o1
InChIInChI=1S/C9H11ClF3NO2/c10-3-1-8-14-5-7(16-8)2-4-15-6-9(11,12)13/h5H,1-4,6H2
InChIKeyQEYMXFYYPWGIAD-UHFFFAOYSA-N
XLogP2.58
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.64
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole?
The IUPAC name of 2-(2-chloroethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole (CID 103213136) is 2-(2-chloroethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole?
The canonical SMILES for 2-(2-chloroethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole is FC(F)(F)COCCc1cnc(CCCl)o1.
What is the InChIKey of 2-(2-chloroethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole?
The InChIKey is QEYMXFYYPWGIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3NO2/c10-3-1-8-14-5-7(16-8)2-4-15-6-9(11,12)13/h5H,1-4,6H2.
What are the key properties of 2-(2-chloroethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole?
2-(2-chloroethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole has a molecular weight of 257.64 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole is sourced from PubChem (CID 103213136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).