1-tert-butyl-3,3-difluoropyrrolidine;5-tert-butyl-2,3-dimethylpyridine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-methylimidazole;3-tert-butyl-4-methyl-1,2,5-oxadiazole;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;5-tert-butyl-1-methyltriazole;4-tert-butylmorpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrolidine;1-tert-butyl-1,2,4-triazole

C121H222F4N24O2 — CID 158707644

About 1-tert-butyl-3,3-difluoropyrrolidine;5-tert-butyl-2,3-dimethylpyridine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-methylimidazole;3-tert-butyl-4-methyl-1,2,5-oxadiazole;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;5-tert-butyl-1-methyltriazole;4-tert-butylmorpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrolidine;1-tert-butyl-1,2,4-triazole

1-tert-butyl-3,3-difluoropyrrolidine;5-tert-butyl-2,3-dimethylpyridine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-methylimidazole;3-tert-butyl-4-methyl-1,2,5-oxadiazole;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;5-tert-butyl-1-methyltriazole;4-tert-butylmorpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrolidine;1-tert-butyl-1,2,4-triazole (PubChem CID 158707644) has the molecular formula C121H222F4N24O2 and a molecular weight of 2121.26 g/mol. Its IUPAC name is 1-tert-butyl-3,3-difluoropyrrolidine;5-tert-butyl-2,3-dimethylpyridine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-methylimidazole;3-tert-butyl-4-methyl-1,2,5-oxadiazole;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;5-tert-butyl-1-methyltriazole;4-tert-butylmorpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrolidine;1-tert-butyl-1,2,4-triazole.

Molecular Properties

• Compound Name: 1-tert-butyl-3,3-difluoropyrrolidine;5-tert-butyl-2,3-dimethylpyridine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-methylimidazole;3-tert-butyl-4-methyl-1,2,5-oxadiazole;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;5-tert-butyl-1-methyltriazole;4-tert-butylmorpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrolidine;1-tert-butyl-1,2,4-triazole
• PubChem CID: 158707644
• Molecular Formula: C121H222F4N24O2
• Molecular Weight: 2121.26 g/mol
• Exact Mass: 2119.79
• IUPAC Name: 1-tert-butyl-3,3-difluoropyrrolidine;5-tert-butyl-2,3-dimethylpyridine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-methylimidazole;3-tert-butyl-4-methyl-1,2,5-oxadiazole;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;5-tert-butyl-1-methyltriazole;4-tert-butylmorpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrolidine;1-tert-butyl-1,2,4-triazole
• SMILES: CC(C)(C)N1CCC(F)(F)C1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCOCC1.CC(C)(C)N1CC[C@@H](F)C1.CC(C)(C)N1CC[C@H](F)C1.CC(C)(C)c1ccncn1.CC(C)(C)c1cncnc1.CC(C)(C)c1ncccn1.CC(C)(C)n1cncn1.C[C@@H]1CCCN1C(C)(C)C.C[C@H]1CCCN1C(C)(C)C.Cc1cc(C(C)(C)C)cnc1C.Cc1nccn1C(C)(C)C.Cc1nonc1C(C)(C)C.Cn1nncc1C(C)(C)C
• InChI: InChI=1S/C11H17N.2C9H19N.C8H15F2N.2C8H16FN.C8H12N2.C8H14N2.2C8H12N2.C8H17NO.C8H17N.C7H13N3.C7H12N2O.C6H11N3/c1-8-6-10(11(3,4)5)7-12-9(8)2;2*1-8-6-5-7-10(8)9(2,3)4;1-7(2,3)11-5-4-8(9,10)6-11;2*1-8(2,3)10-5-4-7(9)6-10;1-8(2,3)7-4-9-6-10-5-7;1-7-9-5-6-10(7)8(2,3)4;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9;1-7(2,3)6-5-8-9-10(6)4;1-5-6(7(2,3)4)9-10-8-5;1-6(2,3)9-5-7-4-8-9/h6-7H,1-5H3;2*8H,5-7H2,1-4H3;4-6H2,1-3H3;2*7H,4-6H2,1-3H3;4-6H,1-3H3;5-6H,1-4H3;2*4-6H,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;5H,1-4H3;1-4H3;4-5H,1-3H3/t;2*8-;;2*7-;;;;;;;;;/m.10.10........./s1
• InChIKey: IIHWSKVMDGIZEA-JBENUBEUSA-N
• XLogP: 27.41
• TPSA: 240.30 Ų
• H-Bond Acceptors: 26
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2121.26
LogP ≤ 5	27.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,3-difluoropyrrolidine;5-tert-butyl-2,3-dimethylpyridine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-methylimidazole;3-tert-butyl-4-methyl-1,2,5-oxadiazole;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;5-tert-butyl-1-methyltriazole;4-tert-butylmorpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrolidine;1-tert-butyl-1,2,4-triazole?

The IUPAC name of 1-tert-butyl-3,3-difluoropyrrolidine;5-tert-butyl-2,3-dimethylpyridine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-methylimidazole;3-tert-butyl-4-methyl-1,2,5-oxadiazole;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;5-tert-butyl-1-methyltriazole;4-tert-butylmorpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrolidine;1-tert-butyl-1,2,4-triazole (CID 158707644) is 1-tert-butyl-3,3-difluoropyrrolidine;5-tert-butyl-2,3-dimethylpyridine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-methylimidazole;3-tert-butyl-4-methyl-1,2,5-oxadiazole;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;5-tert-butyl-1-methyltriazole;4-tert-butylmorpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrolidine;1-tert-butyl-1,2,4-triazole.

What is the SMILES notation for 1-tert-butyl-3,3-difluoropyrrolidine;5-tert-butyl-2,3-dimethylpyridine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-methylimidazole;3-tert-butyl-4-methyl-1,2,5-oxadiazole;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;5-tert-butyl-1-methyltriazole;4-tert-butylmorpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrolidine;1-tert-butyl-1,2,4-triazole?

The canonical SMILES for 1-tert-butyl-3,3-difluoropyrrolidine;5-tert-butyl-2,3-dimethylpyridine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-methylimidazole;3-tert-butyl-4-methyl-1,2,5-oxadiazole;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;5-tert-butyl-1-methyltriazole;4-tert-butylmorpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrolidine;1-tert-butyl-1,2,4-triazole is CC(C)(C)N1CCC(F)(F)C1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCOCC1.CC(C)(C)N1CC[C@@H](F)C1.CC(C)(C)N1CC[C@H](F)C1.CC(C)(C)c1ccncn1.CC(C)(C)c1cncnc1.CC(C)(C)c1ncccn1.CC(C)(C)n1cncn1.C[C@@H]1CCCN1C(C)(C)C.C[C@H]1CCCN1C(C)(C)C.Cc1cc(C(C)(C)C)cnc1C.Cc1nccn1C(C)(C)C.Cc1nonc1C(C)(C)C.Cn1nncc1C(C)(C)C.

What is the InChIKey of 1-tert-butyl-3,3-difluoropyrrolidine;5-tert-butyl-2,3-dimethylpyridine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-methylimidazole;3-tert-butyl-4-methyl-1,2,5-oxadiazole;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;5-tert-butyl-1-methyltriazole;4-tert-butylmorpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrolidine;1-tert-butyl-1,2,4-triazole?

The InChIKey is IIHWSKVMDGIZEA-JBENUBEUSA-N. The full InChI is InChI=1S/C11H17N.2C9H19N.C8H15F2N.2C8H16FN.C8H12N2.C8H14N2.2C8H12N2.C8H17NO.C8H17N.C7H13N3.C7H12N2O.C6H11N3/c1-8-6-10(11(3,4)5)7-12-9(8)2;2*1-8-6-5-7-10(8)9(2,3)4;1-7(2,3)11-5-4-8(9,10)6-11;2*1-8(2,3)10-5-4-7(9)6-10;1-8(2,3)7-4-9-6-10-5-7;1-7-9-5-6-10(7)8(2,3)4;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9;1-7(2,3)6-5-8-9-10(6)4;1-5-6(7(2,3)4)9-10-8-5;1-6(2,3)9-5-7-4-8-9/h6-7H,1-5H3;2*8H,5-7H2,1-4H3;4-6H2,1-3H3;2*7H,4-6H2,1-3H3;4-6H,1-3H3;5-6H,1-4H3;2*4-6H,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;5H,1-4H3;1-4H3;4-5H,1-3H3/t;2*8-;;2*7-;;;;;;;;;/m.10.10........./s1.

What are the key properties of 1-tert-butyl-3,3-difluoropyrrolidine;5-tert-butyl-2,3-dimethylpyridine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-methylimidazole;3-tert-butyl-4-methyl-1,2,5-oxadiazole;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;5-tert-butyl-1-methyltriazole;4-tert-butylmorpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrolidine;1-tert-butyl-1,2,4-triazole?

1-tert-butyl-3,3-difluoropyrrolidine;5-tert-butyl-2,3-dimethylpyridine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-methylimidazole;3-tert-butyl-4-methyl-1,2,5-oxadiazole;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;5-tert-butyl-1-methyltriazole;4-tert-butylmorpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrolidine;1-tert-butyl-1,2,4-triazole has a molecular weight of 2121.26 g/mol, XLogP of 27.41, 0 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-3,3-difluoropyrrolidine;5-tert-butyl-2,3-dimethylpyridine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-methylimidazole;3-tert-butyl-4-methyl-1,2,5-oxadiazole;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;5-tert-butyl-1-methyltriazole;4-tert-butylmorpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrolidine;1-tert-butyl-1,2,4-triazole is sourced from PubChem (CID 158707644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).