2-(2-chloroethyl)-5-(2,4,6-trifluorophenyl)-1,3,4-oxadiazole

C10H6ClF3N2O — CID 65101577

IUPAC2-(2-chloroethyl)-5-(2,4,6-trifluorophenyl)-1,3,4-oxadiazole
SMILESFc1cc(F)c(-c2nnc(CCCl)o2)c(F)c1
InChIInChI=1S/C10H6ClF3N2O/c11-2-1-8-15-16-10(17-8)9-6(13)3-5(12)4-7(9)14/h3-4H,1-2H2
InChIKeyHOMANECRIQPIAF-UHFFFAOYSA-N
MW262.62 g/mol
LogP2.94
Rot. Bonds3

About 2-(2-chloroethyl)-5-(2,4,6-trifluorophenyl)-1,3,4-oxadiazole

2-(2-chloroethyl)-5-(2,4,6-trifluorophenyl)-1,3,4-oxadiazole (PubChem CID 65101577) has the molecular formula C10H6ClF3N2O and a molecular weight of 262.62 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-(2,4,6-trifluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-(2,4,6-trifluorophenyl)-1,3,4-oxadiazole
PubChem CID65101577
Molecular FormulaC10H6ClF3N2O
Molecular Weight262.62 g/mol
Exact Mass262.01
IUPAC Name2-(2-chloroethyl)-5-(2,4,6-trifluorophenyl)-1,3,4-oxadiazole
SMILESFc1cc(F)c(-c2nnc(CCCl)o2)c(F)c1
InChIInChI=1S/C10H6ClF3N2O/c11-2-1-8-15-16-10(17-8)9-6(13)3-5(12)4-7(9)14/h3-4H,1-2H2
InChIKeyHOMANECRIQPIAF-UHFFFAOYSA-N
XLogP2.94
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.62
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-(2,4,6-trifluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chloroethyl)-5-(2,4,6-trifluorophenyl)-1,3,4-oxadiazole (CID 65101577) is 2-(2-chloroethyl)-5-(2,4,6-trifluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-(2,4,6-trifluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chloroethyl)-5-(2,4,6-trifluorophenyl)-1,3,4-oxadiazole is Fc1cc(F)c(-c2nnc(CCCl)o2)c(F)c1.
What is the InChIKey of 2-(2-chloroethyl)-5-(2,4,6-trifluorophenyl)-1,3,4-oxadiazole?
The InChIKey is HOMANECRIQPIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N2O/c11-2-1-8-15-16-10(17-8)9-6(13)3-5(12)4-7(9)14/h3-4H,1-2H2.
What are the key properties of 2-(2-chloroethyl)-5-(2,4,6-trifluorophenyl)-1,3,4-oxadiazole?
2-(2-chloroethyl)-5-(2,4,6-trifluorophenyl)-1,3,4-oxadiazole has a molecular weight of 262.62 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-(2,4,6-trifluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 65101577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).