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

C9H11ClF4N2O2 — CID 103472308

IUPAC5-(3-chloropropyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole
SMILESFC(F)C(F)(F)COCc1noc(CCCCl)n1
InChIInChI=1S/C9H11ClF4N2O2/c10-3-1-2-7-15-6(16-18-7)4-17-5-9(13,14)8(11)12/h8H,1-5H2
InChIKeyZLNHPFGWSZLGCN-UHFFFAOYSA-N
MW290.64 g/mol
LogP2.66
Rot. Bonds8

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

5-(3-chloropropyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole (PubChem CID 103472308) has the molecular formula C9H11ClF4N2O2 and a molecular weight of 290.64 g/mol. Its IUPAC name is 5-(3-chloropropyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-chloropropyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole
PubChem CID103472308
Molecular FormulaC9H11ClF4N2O2
Molecular Weight290.64 g/mol
Exact Mass290.04
IUPAC Name5-(3-chloropropyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole
SMILESFC(F)C(F)(F)COCc1noc(CCCCl)n1
InChIInChI=1S/C9H11ClF4N2O2/c10-3-1-2-7-15-6(16-18-7)4-17-5-9(13,14)8(11)12/h8H,1-5H2
InChIKeyZLNHPFGWSZLGCN-UHFFFAOYSA-N
XLogP2.66
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.64
LogP ≤ 52.66
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

3-(1,1-Difluoropropoxymethyl)-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 68081409
5-Cyclopropyl-3-(1,1-difluoropropoxymethyl)-1,2,4-oxadiazole
CID 68081410
3-(1,1-Difluoroethoxymethyl)-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 68641633
5-Cyclopropyl-3-(1,1-difluoroethoxymethyl)-1,2,4-oxadiazole
CID 68641819
3-(1,1-Difluoroethoxymethyl)-5-(2-methylpropyl)-1,2,4-oxadiazole;ethane
CID 144307211
5-(3-Chloropropyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 61392928
5-(3-Chloropropyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
CID 79954557
5-(3-Chloropropyl)-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 82008368
5-(2-Chloroethyl)-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazole
CID 103145860
5-(2-Chloroethyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazole
CID 103145861
5-(3-Chloropropyl)-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazole
CID 103145866
5-(3-Chloropropyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazole
CID 103145867

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloropropyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-chloropropyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole (CID 103472308) is 5-(3-chloropropyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-chloropropyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-chloropropyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole is FC(F)C(F)(F)COCc1noc(CCCCl)n1.
What is the InChIKey of 5-(3-chloropropyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole?
The InChIKey is ZLNHPFGWSZLGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF4N2O2/c10-3-1-2-7-15-6(16-18-7)4-17-5-9(13,14)8(11)12/h8H,1-5H2.
What are the key properties of 5-(3-chloropropyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole?
5-(3-chloropropyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole has a molecular weight of 290.64 g/mol, XLogP of 2.66, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloropropyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 103472308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).