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

C9H12ClF2NO2 — CID 103213133

IUPAC2-(1-chloroethyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole
SMILESCC(Cl)c1ncc(CCOCC(F)F)o1
InChIInChI=1S/C9H12ClF2NO2/c1-6(10)9-13-4-7(15-9)2-3-14-5-8(11)12/h4,6,8H,2-3,5H2,1H3
InChIKeyLGUQZKUZOBDZKE-UHFFFAOYSA-N
MW239.65 g/mol
LogP2.80
Rot. Bonds6

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

2-(1-chloroethyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole (PubChem CID 103213133) has the molecular formula C9H12ClF2NO2 and a molecular weight of 239.65 g/mol. Its IUPAC name is 2-(1-chloroethyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole
PubChem CID103213133
Molecular FormulaC9H12ClF2NO2
Molecular Weight239.65 g/mol
Exact Mass239.05
IUPAC Name2-(1-chloroethyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole
SMILESCC(Cl)c1ncc(CCOCC(F)F)o1
InChIInChI=1S/C9H12ClF2NO2/c1-6(10)9-13-4-7(15-9)2-3-14-5-8(11)12/h4,6,8H,2-3,5H2,1H3
InChIKeyLGUQZKUZOBDZKE-UHFFFAOYSA-N
XLogP2.80
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.65
LogP ≤ 52.80
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-(1-chloroethyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole?
The IUPAC name of 2-(1-chloroethyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole (CID 103213133) is 2-(1-chloroethyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole.
What is the SMILES notation for 2-(1-chloroethyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole?
The canonical SMILES for 2-(1-chloroethyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole is CC(Cl)c1ncc(CCOCC(F)F)o1.
What is the InChIKey of 2-(1-chloroethyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole?
The InChIKey is LGUQZKUZOBDZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClF2NO2/c1-6(10)9-13-4-7(15-9)2-3-14-5-8(11)12/h4,6,8H,2-3,5H2,1H3.
What are the key properties of 2-(1-chloroethyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole?
2-(1-chloroethyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole has a molecular weight of 239.65 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole is sourced from PubChem (CID 103213133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).