1,1,1,3,3,3-hexafluoro-2-[4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)indol-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]phenyl]propan-2-ol;1,1,1-trifluoro-2-[4-[[5-(5-methyl-1H-pyrazol-3-yl)indol-1-yl]methyl]phenyl]propan-2-ol

C64H51F15N10O3 — CID 159678093

About 1,1,1,3,3,3-hexafluoro-2-[4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)indol-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]phenyl]propan-2-ol;1,1,1-trifluoro-2-[4-[[5-(5-methyl-1H-pyrazol-3-yl)indol-1-yl]methyl]phenyl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)indol-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]phenyl]propan-2-ol;1,1,1-trifluoro-2-[4-[[5-(5-methyl-1H-pyrazol-3-yl)indol-1-yl]methyl]phenyl]propan-2-ol (PubChem CID 159678093) has the molecular formula C64H51F15N10O3 and a molecular weight of 1293.15 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)indol-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]phenyl]propan-2-ol;1,1,1-trifluoro-2-[4-[[5-(5-methyl-1H-pyrazol-3-yl)indol-1-yl]methyl]phenyl]propan-2-ol.

Molecular Properties

• Compound Name: 1,1,1,3,3,3-hexafluoro-2-[4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)indol-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]phenyl]propan-2-ol;1,1,1-trifluoro-2-[4-[[5-(5-methyl-1H-pyrazol-3-yl)indol-1-yl]methyl]phenyl]propan-2-ol
• PubChem CID: 159678093
• Molecular Formula: C64H51F15N10O3
• Molecular Weight: 1293.15 g/mol
• Exact Mass: 1292.39
• IUPAC Name: 1,1,1,3,3,3-hexafluoro-2-[4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)indol-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]phenyl]propan-2-ol;1,1,1-trifluoro-2-[4-[[5-(5-methyl-1H-pyrazol-3-yl)indol-1-yl]methyl]phenyl]propan-2-ol
• SMILES: Cc1cc(-c2ccc3c(ccn3Cc3ccc(C(C)(O)C(F)(F)F)cc3)c2)n[nH]1.Cc1nc(-c2ccc3c(ccn3Cc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)c2)n[nH]1.OC(c1ccc(Cn2ccc3cc(-c4cn[nH]c4)ccc32)cc1)(C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C22H20F3N3O.C21H16F6N4O.C21H15F6N3O/c1-14-11-19(27-26-14)16-5-8-20-17(12-16)9-10-28(20)13-15-3-6-18(7-4-15)21(2,29)22(23,24)25;1-12-28-18(30-29-12)15-4-7-17-14(10-15)8-9-31(17)11-13-2-5-16(6-3-13)19(32,20(22,23)24)21(25,26)27;22-20(23,24)19(31,21(25,26)27)17-4-1-13(2-5-17)12-30-8-7-15-9-14(3-6-18(15)30)16-10-28-29-11-16/h3-12,29H,13H2,1-2H3,(H,26,27);2-10,32H,11H2,1H3,(H,28,29,30);1-11,31H,12H2,(H,28,29)
• InChIKey: MUWDLOADPOGMER-UHFFFAOYSA-N
• XLogP: 15.65
• TPSA: 174.41 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1293.15
LogP ≤ 5	15.65
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)indol-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]phenyl]propan-2-ol;1,1,1-trifluoro-2-[4-[[5-(5-methyl-1H-pyrazol-3-yl)indol-1-yl]methyl]phenyl]propan-2-ol?

The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)indol-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]phenyl]propan-2-ol;1,1,1-trifluoro-2-[4-[[5-(5-methyl-1H-pyrazol-3-yl)indol-1-yl]methyl]phenyl]propan-2-ol (CID 159678093) is 1,1,1,3,3,3-hexafluoro-2-[4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)indol-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]phenyl]propan-2-ol;1,1,1-trifluoro-2-[4-[[5-(5-methyl-1H-pyrazol-3-yl)indol-1-yl]methyl]phenyl]propan-2-ol.

What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)indol-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]phenyl]propan-2-ol;1,1,1-trifluoro-2-[4-[[5-(5-methyl-1H-pyrazol-3-yl)indol-1-yl]methyl]phenyl]propan-2-ol?

The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)indol-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]phenyl]propan-2-ol;1,1,1-trifluoro-2-[4-[[5-(5-methyl-1H-pyrazol-3-yl)indol-1-yl]methyl]phenyl]propan-2-ol is Cc1cc(-c2ccc3c(ccn3Cc3ccc(C(C)(O)C(F)(F)F)cc3)c2)n[nH]1.Cc1nc(-c2ccc3c(ccn3Cc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)c2)n[nH]1.OC(c1ccc(Cn2ccc3cc(-c4cn[nH]c4)ccc32)cc1)(C(F)(F)F)C(F)(F)F.

What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)indol-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]phenyl]propan-2-ol;1,1,1-trifluoro-2-[4-[[5-(5-methyl-1H-pyrazol-3-yl)indol-1-yl]methyl]phenyl]propan-2-ol?

The InChIKey is MUWDLOADPOGMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O.C21H16F6N4O.C21H15F6N3O/c1-14-11-19(27-26-14)16-5-8-20-17(12-16)9-10-28(20)13-15-3-6-18(7-4-15)21(2,29)22(23,24)25;1-12-28-18(30-29-12)15-4-7-17-14(10-15)8-9-31(17)11-13-2-5-16(6-3-13)19(32,20(22,23)24)21(25,26)27;22-20(23,24)19(31,21(25,26)27)17-4-1-13(2-5-17)12-30-8-7-15-9-14(3-6-18(15)30)16-10-28-29-11-16/h3-12,29H,13H2,1-2H3,(H,26,27);2-10,32H,11H2,1H3,(H,28,29,30);1-11,31H,12H2,(H,28,29).

What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)indol-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]phenyl]propan-2-ol;1,1,1-trifluoro-2-[4-[[5-(5-methyl-1H-pyrazol-3-yl)indol-1-yl]methyl]phenyl]propan-2-ol?

1,1,1,3,3,3-hexafluoro-2-[4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)indol-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]phenyl]propan-2-ol;1,1,1-trifluoro-2-[4-[[5-(5-methyl-1H-pyrazol-3-yl)indol-1-yl]methyl]phenyl]propan-2-ol has a molecular weight of 1293.15 g/mol, XLogP of 15.65, 12 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1,3,3,3-hexafluoro-2-[4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)indol-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]phenyl]propan-2-ol;1,1,1-trifluoro-2-[4-[[5-(5-methyl-1H-pyrazol-3-yl)indol-1-yl]methyl]phenyl]propan-2-ol is sourced from PubChem (CID 159678093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).