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

C4Cl3F3N2O — CID 131107504

IUPAC5-(trichloromethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1noc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C4Cl3F3N2O/c5-3(6,7)2-11-1(12-13-2)4(8,9)10
InChIKeyJLTDSWHSTIHCHC-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.92
Rot. Bonds

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

5-(trichloromethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 131107504) has the molecular formula C4Cl3F3N2O and a molecular weight of 255.41 g/mol. Its IUPAC name is 5-(trichloromethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(trichloromethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID131107504
Molecular FormulaC4Cl3F3N2O
Molecular Weight255.41 g/mol
Exact Mass253.90
IUPAC Name5-(trichloromethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1noc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C4Cl3F3N2O/c5-3(6,7)2-11-1(12-13-2)4(8,9)10
InChIKeyJLTDSWHSTIHCHC-UHFFFAOYSA-N
XLogP2.92
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.92
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-[(4-chlorophenyl)-difluoromethyl]-5-(trichloromethyl)-1,2,4-oxadiazole
CID 118396384
N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 82007871
2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 43559962
3-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 104632808
[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanol
CID 56763752
N-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 56760730
2,2-dimethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 82008454
3-(3-fluorophenyl)-5-(trichloromethyl)-1,2,4-oxadiazole
CID 59651736
1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropan-1-amine
CID 130899232
3-(3-fluoro-2-pyridinyl)-5-(trichloromethyl)-1,2,4-oxadiazole
CID 155230305
2-[4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 82007703
3-(trichloromethyl)-1,2,4-oxadiazole-5-carboxamide
CID 20522298

Frequently Asked Questions

What is the IUPAC name of 5-(trichloromethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(trichloromethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole (CID 131107504) is 5-(trichloromethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(trichloromethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(trichloromethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole is FC(F)(F)c1noc(C(Cl)(Cl)Cl)n1.
What is the InChIKey of 5-(trichloromethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is JLTDSWHSTIHCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4Cl3F3N2O/c5-3(6,7)2-11-1(12-13-2)4(8,9)10.
What are the key properties of 5-(trichloromethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole?
5-(trichloromethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 255.41 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trichloromethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 131107504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).