3-[(4-chlorophenyl)-difluoromethyl]-5-(trichloromethyl)-1,2,4-oxadiazole

C10H4Cl4F2N2O — CID 118396384

IUPAC3-[(4-chlorophenyl)-difluoromethyl]-5-(trichloromethyl)-1,2,4-oxadiazole
SMILESFC(F)(c1ccc(Cl)cc1)c1noc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C10H4Cl4F2N2O/c11-6-3-1-5(2-4-6)9(15,16)7-17-8(19-18-7)10(12,13)14/h1-4H
InChIKeyBOMLJLVQSZZRMP-UHFFFAOYSA-N
MW347.96 g/mol
LogP4.69
Rot. Bonds2

About 3-[(4-chlorophenyl)-difluoromethyl]-5-(trichloromethyl)-1,2,4-oxadiazole

3-[(4-chlorophenyl)-difluoromethyl]-5-(trichloromethyl)-1,2,4-oxadiazole (PubChem CID 118396384) has the molecular formula C10H4Cl4F2N2O and a molecular weight of 347.96 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)-difluoromethyl]-5-(trichloromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-chlorophenyl)-difluoromethyl]-5-(trichloromethyl)-1,2,4-oxadiazole
PubChem CID118396384
Molecular FormulaC10H4Cl4F2N2O
Molecular Weight347.96 g/mol
Exact Mass345.90
IUPAC Name3-[(4-chlorophenyl)-difluoromethyl]-5-(trichloromethyl)-1,2,4-oxadiazole
SMILESFC(F)(c1ccc(Cl)cc1)c1noc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C10H4Cl4F2N2O/c11-6-3-1-5(2-4-6)9(15,16)7-17-8(19-18-7)10(12,13)14/h1-4H
InChIKeyBOMLJLVQSZZRMP-UHFFFAOYSA-N
XLogP4.69
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.96
LogP ≤ 54.69
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

5-(trichloromethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 131107504
1-[difluoro-[4-(trichloromethyl)phenyl]methyl]-4-(trichloromethyl)benzene
CID 21412930
chloromethane;1-chloro-4-(trifluoromethyl)benzene
CID 162019017
3-(3-fluoro-2-pyridinyl)-5-(trichloromethyl)-1,2,4-oxadiazole
CID 155230305
3-(3-fluorophenyl)-5-(trichloromethyl)-1,2,4-oxadiazole
CID 59651736
3-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole
CID 139215073
3-[(2-chlorophenoxy)methyl]-5-[difluoro(phenyl)methyl]-1,2,4-oxadiazole
CID 146097169
3-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 104632808
1-chloro-4-(1,1-dichloroethyl)benzene
CID 12861387
(1S)-1-(4-chlorophenyl)-1-fluoroethanol
CID 175477652
2-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 850624
2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 43559962

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)-difluoromethyl]-5-(trichloromethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-chlorophenyl)-difluoromethyl]-5-(trichloromethyl)-1,2,4-oxadiazole (CID 118396384) is 3-[(4-chlorophenyl)-difluoromethyl]-5-(trichloromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-chlorophenyl)-difluoromethyl]-5-(trichloromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-chlorophenyl)-difluoromethyl]-5-(trichloromethyl)-1,2,4-oxadiazole is FC(F)(c1ccc(Cl)cc1)c1noc(C(Cl)(Cl)Cl)n1.
What is the InChIKey of 3-[(4-chlorophenyl)-difluoromethyl]-5-(trichloromethyl)-1,2,4-oxadiazole?
The InChIKey is BOMLJLVQSZZRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl4F2N2O/c11-6-3-1-5(2-4-6)9(15,16)7-17-8(19-18-7)10(12,13)14/h1-4H.
What are the key properties of 3-[(4-chlorophenyl)-difluoromethyl]-5-(trichloromethyl)-1,2,4-oxadiazole?
3-[(4-chlorophenyl)-difluoromethyl]-5-(trichloromethyl)-1,2,4-oxadiazole has a molecular weight of 347.96 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)-difluoromethyl]-5-(trichloromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 118396384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).