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

C10H7ClF2N2O — CID 43513099

IUPAC2-(1-chloroethyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazole
SMILESCC(Cl)c1nnc(-c2c(F)cccc2F)o1
InChIInChI=1S/C10H7ClF2N2O/c1-5(11)9-14-15-10(16-9)8-6(12)3-2-4-7(8)13/h2-5H,1H3
InChIKeyOXCSONIBIJTMGM-UHFFFAOYSA-N
MW244.63 g/mol
LogP3.31
Rot. Bonds2

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

2-(1-chloroethyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazole (PubChem CID 43513099) has the molecular formula C10H7ClF2N2O and a molecular weight of 244.63 g/mol. Its IUPAC name is 2-(1-chloroethyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazole
PubChem CID43513099
Molecular FormulaC10H7ClF2N2O
Molecular Weight244.63 g/mol
Exact Mass244.02
IUPAC Name2-(1-chloroethyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazole
SMILESCC(Cl)c1nnc(-c2c(F)cccc2F)o1
InChIInChI=1S/C10H7ClF2N2O/c1-5(11)9-14-15-10(16-9)8-6(12)3-2-4-7(8)13/h2-5H,1H3
InChIKeyOXCSONIBIJTMGM-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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Related Compounds

2-(1-chloroethyl)-5-(2,6-difluoro-3-methylphenyl)-1,3,4-oxadiazole
CID 82815077
2-(1-chloroethyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 16768252
2-[(1S)-1-chloroethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 7129414
N-[1-[5-(2-bromo-6-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 114560892
5-(1-chloroethyl)-N-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-amine
CID 106956850
2-[(1R)-1-chloroethyl]-5-(3,4-dimethylphenyl)-1,3,4-oxadiazole
CID 86314511
2-(1-chloroethyl)-5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazole
CID 104785718
2-(1-chloroethyl)-5-(furan-3-yl)-1,3,4-oxadiazole
CID 43513112
1-[5-(2-fluoro-6-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 65433692
1-[5-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 114026384
2-(3-bromothiophen-2-yl)-5-(1-chloroethyl)-1,3,4-oxadiazole
CID 63796850
2-(5-bromo-2-pyridinyl)-5-(1-chloroethyl)-1,3,4-oxadiazole
CID 62958955

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(1-chloroethyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazole (CID 43513099) is 2-(1-chloroethyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-chloroethyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-chloroethyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazole is CC(Cl)c1nnc(-c2c(F)cccc2F)o1.
What is the InChIKey of 2-(1-chloroethyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazole?
The InChIKey is OXCSONIBIJTMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF2N2O/c1-5(11)9-14-15-10(16-9)8-6(12)3-2-4-7(8)13/h2-5H,1H3.
What are the key properties of 2-(1-chloroethyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazole?
2-(1-chloroethyl)-5-(2,6-difluorophenyl)-1,3,4-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 2-(1-chloroethyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 43513099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).