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

C10H7ClF2N2O — CID 102661245

IUPAC3-(1-chloroethyl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole
SMILESCC(Cl)c1noc(-c2ccc(F)cc2F)n1
InChIInChI=1S/C10H7ClF2N2O/c1-5(11)9-14-10(16-15-9)7-3-2-6(12)4-8(7)13/h2-5H,1H3
InChIKeyNFPYIAICGMSYCS-UHFFFAOYSA-N
MW244.63 g/mol
LogP3.31
Rot. Bonds2

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

3-(1-chloroethyl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole (PubChem CID 102661245) has the molecular formula C10H7ClF2N2O and a molecular weight of 244.63 g/mol. Its IUPAC name is 3-(1-chloroethyl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-chloroethyl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole
PubChem CID102661245
Molecular FormulaC10H7ClF2N2O
Molecular Weight244.63 g/mol
Exact Mass244.02
IUPAC Name3-(1-chloroethyl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole
SMILESCC(Cl)c1noc(-c2ccc(F)cc2F)n1
InChIInChI=1S/C10H7ClF2N2O/c1-5(11)9-14-10(16-15-9)7-3-2-6(12)4-8(7)13/h2-5H,1H3
InChIKeyNFPYIAICGMSYCS-UHFFFAOYSA-N
XLogP3.31
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.63
LogP ≤ 53.31
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 3-(1-chloroethyl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-chloroethyl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole (CID 102661245) is 3-(1-chloroethyl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-chloroethyl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-chloroethyl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole is CC(Cl)c1noc(-c2ccc(F)cc2F)n1.
What is the InChIKey of 3-(1-chloroethyl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole?
The InChIKey is NFPYIAICGMSYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF2N2O/c1-5(11)9-14-10(16-15-9)7-3-2-6(12)4-8(7)13/h2-5H,1H3.
What are the key properties of 3-(1-chloroethyl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole?
3-(1-chloroethyl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole has a molecular weight of 244.63 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chloroethyl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 102661245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).