1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole

C146H148Cl11F11N34 — CID 157307534

About 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole

1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole (PubChem CID 157307534) has the molecular formula C146H148Cl11F11N34 and a molecular weight of 2977.99 g/mol. Its IUPAC name is 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole.

Molecular Properties

• Compound Name: 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole
• PubChem CID: 157307534
• Molecular Formula: C146H148Cl11F11N34
• Molecular Weight: 2977.99 g/mol
• Exact Mass: 2970.90
• IUPAC Name: 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole
• SMILES: CC(C)c1c(-n2cc(-c3ccccc3)nn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(C(F)(F)F)nn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(C3CC3)nn2)ccc(Cl)c1F.CC(C)c1cc(Cl)ccc1-n1cc(-c2ccccc2)nn1.CC(C)c1cc(Cl)ccc1-n1cc(C#N)nn1.CC(C)c1cc(Cl)ccc1-n1cc(C(F)(F)F)nn1.CC(C)c1cc(Cl)ccc1-n1cc(C2CC2)nn1.Cc1cn(-c2ccc(Cl)c(F)c2C(C)C)nn1.Cc1cn(-c2ccc(Cl)c(F)c2C(C)C)nn1.Cc1cn(-c2ccc(Cl)cc2C(C)C)nn1.Cc1cn(-c2ccc(Cl)cc2C(C)C)nn1
• InChI: InChI=1S/C17H15ClFN3.C17H16ClN3.C14H15ClFN3.C14H16ClN3.C12H10ClF4N3.C12H11ClF3N3.2C12H13ClFN3.C12H11ClN4.2C12H14ClN3/c1-11(2)16-15(9-8-13(18)17(16)19)22-10-14(20-21-22)12-6-4-3-5-7-12;1-12(2)15-10-14(18)8-9-17(15)21-11-16(19-20-21)13-6-4-3-5-7-13;1-8(2)13-12(6-5-10(15)14(13)16)19-7-11(17-18-19)9-3-4-9;1-9(2)12-7-11(15)5-6-14(12)18-8-13(16-17-18)10-3-4-10;1-6(2)10-8(4-3-7(13)11(10)14)20-5-9(18-19-20)12(15,16)17;1-7(2)9-5-8(13)3-4-10(9)19-6-11(17-18-19)12(14,15)16;2*1-7(2)11-10(5-4-9(13)12(11)14)17-6-8(3)15-16-17;1-8(2)11-5-9(13)3-4-12(11)17-7-10(6-14)15-16-17;2*1-8(2)11-6-10(13)4-5-12(11)16-7-9(3)14-15-16/h3-11H,1-2H3;3-12H,1-2H3;5-9H,3-4H2,1-2H3;5-10H,3-4H2,1-2H3;3-6H,1-2H3;3-7H,1-2H3;2*4-7H,1-3H3;3-5,7-8H,1-2H3;2*4-8H,1-3H3
• InChIKey: BCQUGIPIOIUKRJ-UHFFFAOYSA-N
• XLogP: 42.41
• TPSA: 361.60 Ų
• H-Bond Acceptors: 34
• Rotatable Bonds: 26
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2977.99
LogP ≤ 5	42.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole?

The IUPAC name of 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole (CID 157307534) is 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole.

What is the SMILES notation for 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole?

The canonical SMILES for 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole is CC(C)c1c(-n2cc(-c3ccccc3)nn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(C(F)(F)F)nn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(C3CC3)nn2)ccc(Cl)c1F.CC(C)c1cc(Cl)ccc1-n1cc(-c2ccccc2)nn1.CC(C)c1cc(Cl)ccc1-n1cc(C#N)nn1.CC(C)c1cc(Cl)ccc1-n1cc(C(F)(F)F)nn1.CC(C)c1cc(Cl)ccc1-n1cc(C2CC2)nn1.Cc1cn(-c2ccc(Cl)c(F)c2C(C)C)nn1.Cc1cn(-c2ccc(Cl)c(F)c2C(C)C)nn1.Cc1cn(-c2ccc(Cl)cc2C(C)C)nn1.Cc1cn(-c2ccc(Cl)cc2C(C)C)nn1.

What is the InChIKey of 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole?

The InChIKey is BCQUGIPIOIUKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3.C17H16ClN3.C14H15ClFN3.C14H16ClN3.C12H10ClF4N3.C12H11ClF3N3.2C12H13ClFN3.C12H11ClN4.2C12H14ClN3/c1-11(2)16-15(9-8-13(18)17(16)19)22-10-14(20-21-22)12-6-4-3-5-7-12;1-12(2)15-10-14(18)8-9-17(15)21-11-16(19-20-21)13-6-4-3-5-7-13;1-8(2)13-12(6-5-10(15)14(13)16)19-7-11(17-18-19)9-3-4-9;1-9(2)12-7-11(15)5-6-14(12)18-8-13(16-17-18)10-3-4-10;1-6(2)10-8(4-3-7(13)11(10)14)20-5-9(18-19-20)12(15,16)17;1-7(2)9-5-8(13)3-4-10(9)19-6-11(17-18-19)12(14,15)16;2*1-7(2)11-10(5-4-9(13)12(11)14)17-6-8(3)15-16-17;1-8(2)11-5-9(13)3-4-12(11)17-7-10(6-14)15-16-17;2*1-8(2)11-6-10(13)4-5-12(11)16-7-9(3)14-15-16/h3-11H,1-2H3;3-12H,1-2H3;5-9H,3-4H2,1-2H3;5-10H,3-4H2,1-2H3;3-6H,1-2H3;3-7H,1-2H3;2*4-7H,1-3H3;3-5,7-8H,1-2H3;2*4-8H,1-3H3.

What are the key properties of 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole?

1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole has a molecular weight of 2977.99 g/mol, XLogP of 42.41, 26 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole is sourced from PubChem (CID 157307534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).