5-(chloromethyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole

C7H7ClF4N2O2 — CID 103472293

IUPAC5-(chloromethyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole
SMILESFC(F)C(F)(F)COCc1noc(CCl)n1
InChIInChI=1S/C7H7ClF4N2O2/c8-1-5-13-4(14-16-5)2-15-3-7(11,12)6(9)10/h6H,1-3H2
InChIKeyOKKXYKLRIQLKPS-UHFFFAOYSA-N
MW262.59 g/mol
LogP2.23
Rot. Bonds6

About 5-(chloromethyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole

5-(chloromethyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole (PubChem CID 103472293) has the molecular formula C7H7ClF4N2O2 and a molecular weight of 262.59 g/mol. Its IUPAC name is 5-(chloromethyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(chloromethyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole
PubChem CID103472293
Molecular FormulaC7H7ClF4N2O2
Molecular Weight262.59 g/mol
Exact Mass262.01
IUPAC Name5-(chloromethyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole
SMILESFC(F)C(F)(F)COCc1noc(CCl)n1
InChIInChI=1S/C7H7ClF4N2O2/c8-1-5-13-4(14-16-5)2-15-3-7(11,12)6(9)10/h6H,1-3H2
InChIKeyOKKXYKLRIQLKPS-UHFFFAOYSA-N
XLogP2.23
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.59
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(Chloromethyl)-3-(methoxymethyl)-1,2,4-oxadiazole
CID 25219243
3-(1,1-Difluoropropoxymethyl)-5-methyl-1,2,4-oxadiazole
CID 68081263
5-Methyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 89983913
5-(Chloromethyl)-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazole
CID 103145858
5-(Chloromethyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazole
CID 103145859
5-(1-Chloroethyl)-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazole
CID 103145862
5-(1-Chloroethyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazole
CID 103145863
3-(Chloromethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 103208652
3-(1-Chloroethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 103208655
5-(Chloromethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 103472295
5-(2-Chloroethyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole
CID 103472298
5-(2-Chloroethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 103472300

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(chloromethyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole (CID 103472293) is 5-(chloromethyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(chloromethyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(chloromethyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole is FC(F)C(F)(F)COCc1noc(CCl)n1.
What is the InChIKey of 5-(chloromethyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole?
The InChIKey is OKKXYKLRIQLKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF4N2O2/c8-1-5-13-4(14-16-5)2-15-3-7(11,12)6(9)10/h6H,1-3H2.
What are the key properties of 5-(chloromethyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole?
5-(chloromethyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole has a molecular weight of 262.59 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 103472293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).