3-[4-(1-bromoethyl)-3-fluorophenyl]-1,2,4-oxadiazole

C10H8BrFN2O — CID 174630829

IUPAC3-[4-(1-bromoethyl)-3-fluorophenyl]-1,2,4-oxadiazole
SMILESCC(Br)c1ccc(-c2ncon2)cc1F
InChIInChI=1S/C10H8BrFN2O/c1-6(11)8-3-2-7(4-9(8)12)10-13-5-15-14-10/h2-6H,1H3
InChIKeySZJVTPGECGVIOI-UHFFFAOYSA-N
MW271.09 g/mol
LogP3.33
Rot. Bonds2

About 3-[4-(1-bromoethyl)-3-fluorophenyl]-1,2,4-oxadiazole

3-[4-(1-bromoethyl)-3-fluorophenyl]-1,2,4-oxadiazole (PubChem CID 174630829) has the molecular formula C10H8BrFN2O and a molecular weight of 271.09 g/mol. Its IUPAC name is 3-[4-(1-bromoethyl)-3-fluorophenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-(1-bromoethyl)-3-fluorophenyl]-1,2,4-oxadiazole
PubChem CID174630829
Molecular FormulaC10H8BrFN2O
Molecular Weight271.09 g/mol
Exact Mass269.98
IUPAC Name3-[4-(1-bromoethyl)-3-fluorophenyl]-1,2,4-oxadiazole
SMILESCC(Br)c1ccc(-c2ncon2)cc1F
InChIInChI=1S/C10H8BrFN2O/c1-6(11)8-3-2-7(4-9(8)12)10-13-5-15-14-10/h2-6H,1H3
InChIKeySZJVTPGECGVIOI-UHFFFAOYSA-N
XLogP3.33
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.09
LogP ≤ 53.33
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

3-Phenyl-1,2,4-oxadiazole
CID 12260139
3-(4-Bromophenyl)-1,2,4-oxadiazole
CID 25307214
3-(4-Fluorophenyl)-1,2,4-oxadiazole
CID 19046149
3-(3-Fluoro-4-methylphenyl)-1,2,4-oxadiazole
CID 54772357
3-(3-Bromo-4-methylphenyl)-1,2,4-oxadiazole
CID 54772378
3-(4-Methylphenyl)-1,2,4-oxadiazole
CID 12413115
3-(o-Tolyl)-1,2,4-oxadiazole
CID 20358735
3-(Biphenylyl)-1,2,4-oxadiazole
CID 122460362
3-(3-Fluorophenyl)-1,2,4-oxadiazole
CID 17954150
3-(2-Fluorophenyl)-1,2,4-oxadiazole
CID 21710596
(E)-2-fluoro-3-[4-(1,2,4-oxadiazol-3-yl)phenyl]prop-2-en-1-ol
CID 22630826
(Z)-3-fluoro-3-[4-(1,2,4-oxadiazol-3-yl)phenyl]prop-2-en-1-ol
CID 22631223

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-bromoethyl)-3-fluorophenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[4-(1-bromoethyl)-3-fluorophenyl]-1,2,4-oxadiazole (CID 174630829) is 3-[4-(1-bromoethyl)-3-fluorophenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-(1-bromoethyl)-3-fluorophenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-(1-bromoethyl)-3-fluorophenyl]-1,2,4-oxadiazole is CC(Br)c1ccc(-c2ncon2)cc1F.
What is the InChIKey of 3-[4-(1-bromoethyl)-3-fluorophenyl]-1,2,4-oxadiazole?
The InChIKey is SZJVTPGECGVIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2O/c1-6(11)8-3-2-7(4-9(8)12)10-13-5-15-14-10/h2-6H,1H3.
What are the key properties of 3-[4-(1-bromoethyl)-3-fluorophenyl]-1,2,4-oxadiazole?
3-[4-(1-bromoethyl)-3-fluorophenyl]-1,2,4-oxadiazole has a molecular weight of 271.09 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-bromoethyl)-3-fluorophenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 174630829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).