1-benzyl-4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]triazole;1-(4-chlorophenyl)-4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]triazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-2-phenyltriazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-phenyl-1,2,4-oxadiazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-phenyltriazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole

C103H120ClF17N16O10 — CID 157395306

IUPAC1-benzyl-4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]triazole;1-(4-chlorophenyl)-4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]triazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-2-phenyltriazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-phenyl-1,2,4-oxadiazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-phenyltriazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole
SMILESCC(C)(C)C(F)(F)OCc1cn(-c2ccc(Cl)cc2)nn1.CC(C)(C)C(F)(F)OCc1cn(-c2ccccc2)nn1.CC(C)(C)C(F)(F)OCc1cn(Cc2ccccc2)nn1.CC(C)(C)C(F)(F)OCc1coc(-c2ccccc2)n1.CC(C)(C)C(F)(F)OCc1nc(-c2ccccc2)oc1C(F)(F)F.CC(C)(C)C(F)(F)OCc1noc(-c2ccccc2)n1.Cc1nn(-c2ccccc2)nc1COC(F)(F)C(C)(C)C
InChIInChI=1S/C16H16F5NO2.2C15H19F2N3O.C15H17F2NO2.C14H16ClF2N3O.C14H17F2N3O.C14H16F2N2O2/c1-14(2,3)16(20,21)23-9-11-12(15(17,18)19)24-13(22-11)10-7-5-4-6-8-10;1-11-13(10-21-15(16,17)14(2,3)4)19-20(18-11)12-8-6-5-7-9-12;1-14(2,3)15(16,17)21-11-13-10-20(19-18-13)9-12-7-5-4-6-8-12;1-14(2,3)15(16,17)20-10-12-9-19-13(18-12)11-7-5-4-6-8-11;1-13(2,3)14(16,17)21-9-11-8-20(19-18-11)12-6-4-10(15)5-7-12;1-13(2,3)14(15,16)20-10-11-9-19(18-17-11)12-7-5-4-6-8-12;1-13(2,3)14(15,16)19-9-11-17-12(20-18-11)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3;5-9H,10H2,1-4H3;4-8,10H,9,11H2,1-3H3;4-9H,10H2,1-3H3;4-8H,9H2,1-3H3;4-9H,10H2,1-3H3;4-8H,9H2,1-3H3
InChIKeyBMMQFZHEGLVCAP-UHFFFAOYSA-N
MW2100.61 g/mol
LogP28.62
Rot. Bonds29

About 1-benzyl-4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]triazole;1-(4-chlorophenyl)-4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]triazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-2-phenyltriazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-phenyl-1,2,4-oxadiazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-phenyltriazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole

1-benzyl-4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]triazole;1-(4-chlorophenyl)-4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]triazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-2-phenyltriazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-phenyl-1,2,4-oxadiazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-phenyltriazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole (PubChem CID 157395306) has the molecular formula C103H120ClF17N16O10 and a molecular weight of 2100.61 g/mol. Its IUPAC name is 1-benzyl-4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]triazole;1-(4-chlorophenyl)-4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]triazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-2-phenyltriazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-phenyl-1,2,4-oxadiazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-phenyltriazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name1-benzyl-4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]triazole;1-(4-chlorophenyl)-4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]triazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-2-phenyltriazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-phenyl-1,2,4-oxadiazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-phenyltriazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole
PubChem CID157395306
Molecular FormulaC103H120ClF17N16O10
Molecular Weight2100.61 g/mol
Exact Mass2098.88
IUPAC Name1-benzyl-4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]triazole;1-(4-chlorophenyl)-4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]triazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-2-phenyltriazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-phenyl-1,2,4-oxadiazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-phenyltriazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole
SMILESCC(C)(C)C(F)(F)OCc1cn(-c2ccc(Cl)cc2)nn1.CC(C)(C)C(F)(F)OCc1cn(-c2ccccc2)nn1.CC(C)(C)C(F)(F)OCc1cn(Cc2ccccc2)nn1.CC(C)(C)C(F)(F)OCc1coc(-c2ccccc2)n1.CC(C)(C)C(F)(F)OCc1nc(-c2ccccc2)oc1C(F)(F)F.CC(C)(C)C(F)(F)OCc1noc(-c2ccccc2)n1.Cc1nn(-c2ccccc2)nc1COC(F)(F)C(C)(C)C
InChIInChI=1S/C16H16F5NO2.2C15H19F2N3O.C15H17F2NO2.C14H16ClF2N3O.C14H17F2N3O.C14H16F2N2O2/c1-14(2,3)16(20,21)23-9-11-12(15(17,18)19)24-13(22-11)10-7-5-4-6-8-10;1-11-13(10-21-15(16,17)14(2,3)4)19-20(18-11)12-8-6-5-7-9-12;1-14(2,3)15(16,17)21-11-13-10-20(19-18-13)9-12-7-5-4-6-8-12;1-14(2,3)15(16,17)20-10-12-9-19-13(18-12)11-7-5-4-6-8-11;1-13(2,3)14(16,17)21-9-11-8-20(19-18-11)12-6-4-10(15)5-7-12;1-13(2,3)14(15,16)20-10-11-9-19(18-17-11)12-7-5-4-6-8-12;1-13(2,3)14(15,16)19-9-11-17-12(20-18-11)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3;5-9H,10H2,1-4H3;4-8,10H,9,11H2,1-3H3;4-9H,10H2,1-3H3;4-8H,9H2,1-3H3;4-9H,10H2,1-3H3;4-8H,9H2,1-3H3
InChIKeyBMMQFZHEGLVCAP-UHFFFAOYSA-N
XLogP28.62
TPSA278.43 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds29
Heavy Atoms147
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002100.61
LogP ≤ 528.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 1-benzyl-4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]triazole;1-(4-chlorophenyl)-4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]triazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-2-phenyltriazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-phenyl-1,2,4-oxadiazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-phenyltriazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]triazole;1-(4-chlorophenyl)-4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]triazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-2-phenyltriazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-phenyl-1,2,4-oxadiazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-phenyltriazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 1-benzyl-4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]triazole;1-(4-chlorophenyl)-4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]triazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-2-phenyltriazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-phenyl-1,2,4-oxadiazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-phenyltriazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole (CID 157395306) is 1-benzyl-4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]triazole;1-(4-chlorophenyl)-4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]triazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-2-phenyltriazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-phenyl-1,2,4-oxadiazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-phenyltriazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 1-benzyl-4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]triazole;1-(4-chlorophenyl)-4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]triazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-2-phenyltriazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-phenyl-1,2,4-oxadiazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-phenyltriazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 1-benzyl-4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]triazole;1-(4-chlorophenyl)-4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]triazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-2-phenyltriazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-phenyl-1,2,4-oxadiazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-phenyltriazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole is CC(C)(C)C(F)(F)OCc1cn(-c2ccc(Cl)cc2)nn1.CC(C)(C)C(F)(F)OCc1cn(-c2ccccc2)nn1.CC(C)(C)C(F)(F)OCc1cn(Cc2ccccc2)nn1.CC(C)(C)C(F)(F)OCc1coc(-c2ccccc2)n1.CC(C)(C)C(F)(F)OCc1nc(-c2ccccc2)oc1C(F)(F)F.CC(C)(C)C(F)(F)OCc1noc(-c2ccccc2)n1.Cc1nn(-c2ccccc2)nc1COC(F)(F)C(C)(C)C.
What is the InChIKey of 1-benzyl-4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]triazole;1-(4-chlorophenyl)-4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]triazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-2-phenyltriazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-phenyl-1,2,4-oxadiazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-phenyltriazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole?
The InChIKey is BMMQFZHEGLVCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F5NO2.2C15H19F2N3O.C15H17F2NO2.C14H16ClF2N3O.C14H17F2N3O.C14H16F2N2O2/c1-14(2,3)16(20,21)23-9-11-12(15(17,18)19)24-13(22-11)10-7-5-4-6-8-10;1-11-13(10-21-15(16,17)14(2,3)4)19-20(18-11)12-8-6-5-7-9-12;1-14(2,3)15(16,17)21-11-13-10-20(19-18-13)9-12-7-5-4-6-8-12;1-14(2,3)15(16,17)20-10-12-9-19-13(18-12)11-7-5-4-6-8-11;1-13(2,3)14(16,17)21-9-11-8-20(19-18-11)12-6-4-10(15)5-7-12;1-13(2,3)14(15,16)20-10-11-9-19(18-17-11)12-7-5-4-6-8-12;1-13(2,3)14(15,16)19-9-11-17-12(20-18-11)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3;5-9H,10H2,1-4H3;4-8,10H,9,11H2,1-3H3;4-9H,10H2,1-3H3;4-8H,9H2,1-3H3;4-9H,10H2,1-3H3;4-8H,9H2,1-3H3.
What are the key properties of 1-benzyl-4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]triazole;1-(4-chlorophenyl)-4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]triazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-2-phenyltriazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-phenyl-1,2,4-oxadiazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-phenyltriazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole?
1-benzyl-4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]triazole;1-(4-chlorophenyl)-4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]triazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-2-phenyltriazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-phenyl-1,2,4-oxadiazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-phenyltriazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole has a molecular weight of 2100.61 g/mol, XLogP of 28.62, 29 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]triazole;1-(4-chlorophenyl)-4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]triazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-2-phenyltriazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-phenyl-1,2,4-oxadiazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-phenyltriazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 157395306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).