2-(chloromethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazole

C7H8ClF3N2O2 — CID 103206275

IUPAC2-(chloromethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazole
SMILESFC(F)(F)COCCc1nnc(CCl)o1
InChIInChI=1S/C7H8ClF3N2O2/c8-3-6-13-12-5(15-6)1-2-14-4-7(9,10)11/h1-4H2
InChIKeyZABJTBQEVYKAKU-UHFFFAOYSA-N
MW244.60 g/mol
LogP1.93
Rot. Bonds5

About 2-(chloromethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazole

2-(chloromethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazole (PubChem CID 103206275) has the molecular formula C7H8ClF3N2O2 and a molecular weight of 244.60 g/mol. Its IUPAC name is 2-(chloromethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazole
PubChem CID103206275
Molecular FormulaC7H8ClF3N2O2
Molecular Weight244.60 g/mol
Exact Mass244.02
IUPAC Name2-(chloromethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazole
SMILESFC(F)(F)COCCc1nnc(CCl)o1
InChIInChI=1S/C7H8ClF3N2O2/c8-3-6-13-12-5(15-6)1-2-14-4-7(9,10)11/h1-4H2
InChIKeyZABJTBQEVYKAKU-UHFFFAOYSA-N
XLogP1.93
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.60
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(chloromethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazole (CID 103206275) is 2-(chloromethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(chloromethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(chloromethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazole is FC(F)(F)COCCc1nnc(CCl)o1.
What is the InChIKey of 2-(chloromethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazole?
The InChIKey is ZABJTBQEVYKAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF3N2O2/c8-3-6-13-12-5(15-6)1-2-14-4-7(9,10)11/h1-4H2.
What are the key properties of 2-(chloromethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazole?
2-(chloromethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazole has a molecular weight of 244.60 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 103206275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).