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

C8H10ClF3N2O2 — CID 103472310

IUPAC5-(3-chloropropyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)COCc1noc(CCCCl)n1
InChIInChI=1S/C8H10ClF3N2O2/c9-3-1-2-7-13-6(14-16-7)4-15-5-8(10,11)12/h1-5H2
InChIKeyBCXLHPUWGGZOJC-UHFFFAOYSA-N
MW258.63 g/mol
LogP2.32
Rot. Bonds6

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

5-(3-chloropropyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole (PubChem CID 103472310) has the molecular formula C8H10ClF3N2O2 and a molecular weight of 258.63 g/mol. Its IUPAC name is 5-(3-chloropropyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-chloropropyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
PubChem CID103472310
Molecular FormulaC8H10ClF3N2O2
Molecular Weight258.63 g/mol
Exact Mass258.04
IUPAC Name5-(3-chloropropyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)COCc1noc(CCCCl)n1
InChIInChI=1S/C8H10ClF3N2O2/c9-3-1-2-7-13-6(14-16-7)4-15-5-8(10,11)12/h1-5H2
InChIKeyBCXLHPUWGGZOJC-UHFFFAOYSA-N
XLogP2.32
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.63
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(3-chloropropyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(1,1-Difluoro-2,2-dimethylpropoxy)methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 58044668
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
5-Cyclopropyl-3-(1,1-difluoroethoxymethyl)-1,2,4-oxadiazole;ethane
CID 144307172
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
3-(1-Chloropropyl)-5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
CID 103095696
3-(1-Chlorobutyl)-5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
CID 103096072

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloropropyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-chloropropyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole (CID 103472310) is 5-(3-chloropropyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-chloropropyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-chloropropyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole is FC(F)(F)COCc1noc(CCCCl)n1.
What is the InChIKey of 5-(3-chloropropyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole?
The InChIKey is BCXLHPUWGGZOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF3N2O2/c9-3-1-2-7-13-6(14-16-7)4-15-5-8(10,11)12/h1-5H2.
What are the key properties of 5-(3-chloropropyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole?
5-(3-chloropropyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole has a molecular weight of 258.63 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloropropyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 103472310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).