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

C9H12ClF2NO2 — CID 103213137

IUPAC2-(2-chloroethyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole
SMILESFC(F)COCCc1cnc(CCCl)o1
InChIInChI=1S/C9H12ClF2NO2/c10-3-1-9-13-5-7(15-9)2-4-14-6-8(11)12/h5,8H,1-4,6H2
InChIKeyHHOGRIDDRSEOTL-UHFFFAOYSA-N
MW239.65 g/mol
LogP2.28
Rot. Bonds7

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

2-(2-chloroethyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole (PubChem CID 103213137) has the molecular formula C9H12ClF2NO2 and a molecular weight of 239.65 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole
PubChem CID103213137
Molecular FormulaC9H12ClF2NO2
Molecular Weight239.65 g/mol
Exact Mass239.05
IUPAC Name2-(2-chloroethyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole
SMILESFC(F)COCCc1cnc(CCCl)o1
InChIInChI=1S/C9H12ClF2NO2/c10-3-1-9-13-5-7(15-9)2-4-14-6-8(11)12/h5,8H,1-4,6H2
InChIKeyHHOGRIDDRSEOTL-UHFFFAOYSA-N
XLogP2.28
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.65
LogP ≤ 52.28
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-difluoroethoxy)ethyl]-1,3-oxazole?
The IUPAC name of 2-(2-chloroethyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole (CID 103213137) is 2-(2-chloroethyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole?
The canonical SMILES for 2-(2-chloroethyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole is FC(F)COCCc1cnc(CCCl)o1.
What is the InChIKey of 2-(2-chloroethyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole?
The InChIKey is HHOGRIDDRSEOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClF2NO2/c10-3-1-9-13-5-7(15-9)2-4-14-6-8(11)12/h5,8H,1-4,6H2.
What are the key properties of 2-(2-chloroethyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole?
2-(2-chloroethyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole has a molecular weight of 239.65 g/mol, XLogP of 2.28, 7 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-difluoroethoxy)ethyl]-1,3-oxazole is sourced from PubChem (CID 103213137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).