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

C8H10ClF2NO2 — CID 103213129

IUPAC2-(chloromethyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole
SMILESFC(F)COCCc1cnc(CCl)o1
InChIInChI=1S/C8H10ClF2NO2/c9-3-8-12-4-6(14-8)1-2-13-5-7(10)11/h4,7H,1-3,5H2
InChIKeyDSCOCYCIWNLRLF-UHFFFAOYSA-N
MW225.62 g/mol
LogP2.24
Rot. Bonds6

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

2-(chloromethyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole (PubChem CID 103213129) has the molecular formula C8H10ClF2NO2 and a molecular weight of 225.62 g/mol. Its IUPAC name is 2-(chloromethyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole
PubChem CID103213129
Molecular FormulaC8H10ClF2NO2
Molecular Weight225.62 g/mol
Exact Mass225.04
IUPAC Name2-(chloromethyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole
SMILESFC(F)COCCc1cnc(CCl)o1
InChIInChI=1S/C8H10ClF2NO2/c9-3-8-12-4-6(14-8)1-2-13-5-7(10)11/h4,7H,1-3,5H2
InChIKeyDSCOCYCIWNLRLF-UHFFFAOYSA-N
XLogP2.24
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.62
LogP ≤ 52.24
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-(chloromethyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole?
The IUPAC name of 2-(chloromethyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole (CID 103213129) is 2-(chloromethyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole.
What is the SMILES notation for 2-(chloromethyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole?
The canonical SMILES for 2-(chloromethyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole is FC(F)COCCc1cnc(CCl)o1.
What is the InChIKey of 2-(chloromethyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole?
The InChIKey is DSCOCYCIWNLRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF2NO2/c9-3-8-12-4-6(14-8)1-2-13-5-7(10)11/h4,7H,1-3,5H2.
What are the key properties of 2-(chloromethyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole?
2-(chloromethyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole has a molecular weight of 225.62 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole is sourced from PubChem (CID 103213129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).