1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidin-4-ol;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2,2,6,6-tetramethylpiperidine;7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine

C105H208F8N18O — CID 157132326

About 1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidin-4-ol;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2,2,6,6-tetramethylpiperidine;7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine

1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidin-4-ol;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2,2,6,6-tetramethylpiperidine;7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 157132326) has the molecular formula C105H208F8N18O and a molecular weight of 1890.93 g/mol. Its IUPAC name is 1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidin-4-ol;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2,2,6,6-tetramethylpiperidine;7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

• Compound Name: 1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidin-4-ol;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2,2,6,6-tetramethylpiperidine;7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
• PubChem CID: 157132326
• Molecular Formula: C105H208F8N18O
• Molecular Weight: 1890.93 g/mol
• Exact Mass: 1889.67
• IUPAC Name: 1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidin-4-ol;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2,2,6,6-tetramethylpiperidine;7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
• SMILES: CC(C)(C)N1C(C)(C)CCCC1(C)C.CC(C)(C)N1CC(F)(F)C1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCn2nc(C(F)(F)F)nc2C1.CC(F)(F)c1nnc2n1CCN(C(C)(C)C)C2.CC1(F)CCN(C(C)(C)C)CC1.CC1(O)CCN(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CC1CN(C(C)(C)C)C1.CN1CCN(C(C)(C)C)CC1
• InChI: InChI=1S/C13H27N.C11H18F2N4.C10H15F3N4.C10H20FN.C10H21NO.C10H21N.C9H20N2.C9H19N.2C8H17N.C7H13F2N/c1-11(2,3)14-12(4,5)9-8-10-13(14,6)7;1-10(2,3)16-5-6-17-8(7-16)14-15-9(17)11(4,12)13;1-9(2,3)16-4-5-17-7(6-16)14-8(15-17)10(11,12)13;1-9(2,3)12-7-5-10(4,11)6-8-12;1-9(2,3)11-7-5-10(4,12)6-8-11;1-9-5-7-11(8-6-9)10(2,3)4;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-7-5-4-6-8-10;1-7-5-9(6-7)8(2,3)4;1-8(2,3)9-6-4-5-7-9;1-6(2,3)10-4-7(8,9)5-10/h8-10H2,1-7H3;5-7H2,1-4H3;4-6H2,1-3H3;5-8H2,1-4H3;12H,5-8H2,1-4H3;9H,5-8H2,1-4H3;5-8H2,1-4H3;4-8H2,1-3H3;7H,5-6H2,1-4H3;4-7H2,1-3H3;4-5H2,1-3H3
• InChIKey: AJFHMWYYZHMBAZ-UHFFFAOYSA-N
• XLogP: 23.16
• TPSA: 120.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 1
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1890.93
LogP ≤ 5	23.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidin-4-ol;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2,2,6,6-tetramethylpiperidine;7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?

The IUPAC name of 1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidin-4-ol;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2,2,6,6-tetramethylpiperidine;7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine (CID 157132326) is 1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidin-4-ol;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2,2,6,6-tetramethylpiperidine;7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine.

What is the SMILES notation for 1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidin-4-ol;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2,2,6,6-tetramethylpiperidine;7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?

The canonical SMILES for 1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidin-4-ol;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2,2,6,6-tetramethylpiperidine;7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine is CC(C)(C)N1C(C)(C)CCCC1(C)C.CC(C)(C)N1CC(F)(F)C1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCn2nc(C(F)(F)F)nc2C1.CC(F)(F)c1nnc2n1CCN(C(C)(C)C)C2.CC1(F)CCN(C(C)(C)C)CC1.CC1(O)CCN(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CC1CN(C(C)(C)C)C1.CN1CCN(C(C)(C)C)CC1.

What is the InChIKey of 1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidin-4-ol;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2,2,6,6-tetramethylpiperidine;7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?

The InChIKey is AJFHMWYYZHMBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N.C11H18F2N4.C10H15F3N4.C10H20FN.C10H21NO.C10H21N.C9H20N2.C9H19N.2C8H17N.C7H13F2N/c1-11(2,3)14-12(4,5)9-8-10-13(14,6)7;1-10(2,3)16-5-6-17-8(7-16)14-15-9(17)11(4,12)13;1-9(2,3)16-4-5-17-7(6-16)14-8(15-17)10(11,12)13;1-9(2,3)12-7-5-10(4,11)6-8-12;1-9(2,3)11-7-5-10(4,12)6-8-11;1-9-5-7-11(8-6-9)10(2,3)4;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-7-5-4-6-8-10;1-7-5-9(6-7)8(2,3)4;1-8(2,3)9-6-4-5-7-9;1-6(2,3)10-4-7(8,9)5-10/h8-10H2,1-7H3;5-7H2,1-4H3;4-6H2,1-3H3;5-8H2,1-4H3;12H,5-8H2,1-4H3;9H,5-8H2,1-4H3;5-8H2,1-4H3;4-8H2,1-3H3;7H,5-6H2,1-4H3;4-7H2,1-3H3;4-5H2,1-3H3.

What are the key properties of 1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidin-4-ol;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2,2,6,6-tetramethylpiperidine;7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?

1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidin-4-ol;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2,2,6,6-tetramethylpiperidine;7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 1890.93 g/mol, XLogP of 23.16, 1 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidin-4-ol;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2,2,6,6-tetramethylpiperidine;7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 157132326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).