2-(2-chloroethyl)-5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazole

C6H5ClF4N2O — CID 104632668

IUPAC2-(2-chloroethyl)-5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazole
SMILESFC(F)C(F)(F)c1nnc(CCCl)o1
InChIInChI=1S/C6H5ClF4N2O/c7-2-1-3-12-13-5(14-3)6(10,11)4(8)9/h4H,1-2H2
InChIKeyGIARAFBMXQIYRC-UHFFFAOYSA-N
MW232.56 g/mol
LogP2.21
Rot. Bonds4

About 2-(2-chloroethyl)-5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazole

2-(2-chloroethyl)-5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazole (PubChem CID 104632668) has the molecular formula C6H5ClF4N2O and a molecular weight of 232.56 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazole
PubChem CID104632668
Molecular FormulaC6H5ClF4N2O
Molecular Weight232.56 g/mol
Exact Mass232.00
IUPAC Name2-(2-chloroethyl)-5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazole
SMILESFC(F)C(F)(F)c1nnc(CCCl)o1
InChIInChI=1S/C6H5ClF4N2O/c7-2-1-3-12-13-5(14-3)6(10,11)4(8)9/h4H,1-2H2
InChIKeyGIARAFBMXQIYRC-UHFFFAOYSA-N
XLogP2.21
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.56
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 104632907
N-methyl-2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 104632959
N-[2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 104632969
N-[[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 104632921
2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanol
CID 130710201
2-(2-chloroethyl)-5-propyl-1,3,4-oxadiazole
CID 43513170
2-(chloromethyl)-5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-oxadiazole
CID 104632661
5-(2-chloroethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-amine
CID 106219730
2-(2-chloroethyl)-5-(2-methoxyethyl)-1,3,4-oxadiazole
CID 62588931
2-(chloromethyl)-5-(trichloromethyl)-1,3,4-oxadiazole
CID 23462322
2-(2-chloroethyl)-5-nonyl-1,3,4-oxadiazole
CID 65448728
2-(2-chloroethyl)-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 43513245

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chloroethyl)-5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazole (CID 104632668) is 2-(2-chloroethyl)-5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chloroethyl)-5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazole is FC(F)C(F)(F)c1nnc(CCCl)o1.
What is the InChIKey of 2-(2-chloroethyl)-5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazole?
The InChIKey is GIARAFBMXQIYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF4N2O/c7-2-1-3-12-13-5(14-3)6(10,11)4(8)9/h4H,1-2H2.
What are the key properties of 2-(2-chloroethyl)-5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazole?
2-(2-chloroethyl)-5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazole has a molecular weight of 232.56 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 104632668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).