2-(3-iodophenyl)-5-(trifluoromethyl)-1,3,4-oxadiazole

C9H4F3IN2O — CID 171390427

IUPAC2-(3-iodophenyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1nnc(-c2cccc(I)c2)o1
InChIInChI=1S/C9H4F3IN2O/c10-9(11,12)8-15-14-7(16-8)5-2-1-3-6(13)4-5/h1-4H
InChIKeyWLIBBOWXUQLPEH-UHFFFAOYSA-N
MW340.04 g/mol
LogP3.36
Rot. Bonds1

About 2-(3-iodophenyl)-5-(trifluoromethyl)-1,3,4-oxadiazole

2-(3-iodophenyl)-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 171390427) has the molecular formula C9H4F3IN2O and a molecular weight of 340.04 g/mol. Its IUPAC name is 2-(3-iodophenyl)-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-iodophenyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID171390427
Molecular FormulaC9H4F3IN2O
Molecular Weight340.04 g/mol
Exact Mass339.93
IUPAC Name2-(3-iodophenyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1nnc(-c2cccc(I)c2)o1
InChIInChI=1S/C9H4F3IN2O/c10-9(11,12)8-15-14-7(16-8)5-2-1-3-6(13)4-5/h1-4H
InChIKeyWLIBBOWXUQLPEH-UHFFFAOYSA-N
XLogP3.36
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.04
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-iodophenyl)-5-phenyl-1,3,4-oxadiazole
CID 749918
2-(4-fluorophenyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 178189718
4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
CID 146309694
2-(3-methyl-4-propan-2-ylphenyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 130427978
2-(4-propan-2-ylphenyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 138717926
4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 139473568
2-(3-iodophenyl)-5-methyl-1,3-oxazole
CID 67350132
2-(3,5-diiodophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 67510995
1-[5-(3-iodophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62857793
4-(chloromethyl)-2-(3-iodophenyl)-5-methyl-1,3-oxazole
CID 53404213
2-methyl-N-[[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62137593
2-(3-iodophenyl)-1,3-benzoxazol-4-amine
CID 79022155

Frequently Asked Questions

What is the IUPAC name of 2-(3-iodophenyl)-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3-iodophenyl)-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 171390427) is 2-(3-iodophenyl)-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-iodophenyl)-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-iodophenyl)-5-(trifluoromethyl)-1,3,4-oxadiazole is FC(F)(F)c1nnc(-c2cccc(I)c2)o1.
What is the InChIKey of 2-(3-iodophenyl)-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is WLIBBOWXUQLPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3IN2O/c10-9(11,12)8-15-14-7(16-8)5-2-1-3-6(13)4-5/h1-4H.
What are the key properties of 2-(3-iodophenyl)-5-(trifluoromethyl)-1,3,4-oxadiazole?
2-(3-iodophenyl)-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 340.04 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodophenyl)-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 171390427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).