3-(3-fluorophenyl)-5-(trichloromethyl)-1,2,4-oxadiazole

C9H4Cl3FN2O — CID 59651736

IUPAC3-(3-fluorophenyl)-5-(trichloromethyl)-1,2,4-oxadiazole
SMILESFc1cccc(-c2noc(C(Cl)(Cl)Cl)n2)c1
InChIInChI=1S/C9H4Cl3FN2O/c10-9(11,12)8-14-7(15-16-8)5-2-1-3-6(13)4-5/h1-4H
InChIKeyDOUSZKCTGJHIDY-UHFFFAOYSA-N
MW281.50 g/mol
LogP3.70
Rot. Bonds1

About 3-(3-fluorophenyl)-5-(trichloromethyl)-1,2,4-oxadiazole

3-(3-fluorophenyl)-5-(trichloromethyl)-1,2,4-oxadiazole (PubChem CID 59651736) has the molecular formula C9H4Cl3FN2O and a molecular weight of 281.50 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-(trichloromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-(trichloromethyl)-1,2,4-oxadiazole
PubChem CID59651736
Molecular FormulaC9H4Cl3FN2O
Molecular Weight281.50 g/mol
Exact Mass279.94
IUPAC Name3-(3-fluorophenyl)-5-(trichloromethyl)-1,2,4-oxadiazole
SMILESFc1cccc(-c2noc(C(Cl)(Cl)Cl)n2)c1
InChIInChI=1S/C9H4Cl3FN2O/c10-9(11,12)8-14-7(15-16-8)5-2-1-3-6(13)4-5/h1-4H
InChIKeyDOUSZKCTGJHIDY-UHFFFAOYSA-N
XLogP3.70
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.50
LogP ≤ 53.70
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-(3-fluorophenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 90464045
3-(3-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 139220637
3-[5-(trichloromethyl)-1,2,4-oxadiazol-3-yl]benzonitrile
CID 156506824
3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carboxylic acid
CID 69195463
5-[chloro(difluoro)methyl]-3-[3-(2-chloro-4-fluorophenoxy)phenyl]-1,2,4-oxadiazole
CID 175183113
5-[chloro(difluoro)methyl]-3-[3-[(2-methylpropan-2-yl)oxy]phenyl]-1,2,4-oxadiazole
CID 175189888
(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 162768019
3-[4-(3-fluorophenyl)phenyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 71088156
acetamide;[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 145151193
3-(3-fluoro-2-pyridinyl)-5-(trichloromethyl)-1,2,4-oxadiazole
CID 155230305
5-tert-butyl-3-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-1,2,4-oxadiazole
CID 71618210
2-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanamine
CID 123768629

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-(trichloromethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-fluorophenyl)-5-(trichloromethyl)-1,2,4-oxadiazole (CID 59651736) is 3-(3-fluorophenyl)-5-(trichloromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-fluorophenyl)-5-(trichloromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-fluorophenyl)-5-(trichloromethyl)-1,2,4-oxadiazole is Fc1cccc(-c2noc(C(Cl)(Cl)Cl)n2)c1.
What is the InChIKey of 3-(3-fluorophenyl)-5-(trichloromethyl)-1,2,4-oxadiazole?
The InChIKey is DOUSZKCTGJHIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl3FN2O/c10-9(11,12)8-14-7(15-16-8)5-2-1-3-6(13)4-5/h1-4H.
What are the key properties of 3-(3-fluorophenyl)-5-(trichloromethyl)-1,2,4-oxadiazole?
3-(3-fluorophenyl)-5-(trichloromethyl)-1,2,4-oxadiazole has a molecular weight of 281.50 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-(trichloromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 59651736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).