6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-1-propan-2-ylazetidine;4,4-difluoro-1-propan-2-ylpiperidine;2,2-dimethyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpiperidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;bis((2S)-2-methyl-1-propan-2-ylpyrrolidine);3-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;1-propan-2-yl-3-(trifluoromethyl)pyrrolidine

C87H169F12N11 — CID 161374833

About 6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-1-propan-2-ylazetidine;4,4-difluoro-1-propan-2-ylpiperidine;2,2-dimethyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpiperidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;bis((2S)-2-methyl-1-propan-2-ylpyrrolidine);3-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;1-propan-2-yl-3-(trifluoromethyl)pyrrolidine

6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-1-propan-2-ylazetidine;4,4-difluoro-1-propan-2-ylpiperidine;2,2-dimethyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpiperidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;bis((2S)-2-methyl-1-propan-2-ylpyrrolidine);3-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;1-propan-2-yl-3-(trifluoromethyl)pyrrolidine (PubChem CID 161374833) has the molecular formula C87H169F12N11 and a molecular weight of 1597.36 g/mol. Its IUPAC name is 6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-1-propan-2-ylazetidine;4,4-difluoro-1-propan-2-ylpiperidine;2,2-dimethyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpiperidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;bis((2S)-2-methyl-1-propan-2-ylpyrrolidine);3-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;1-propan-2-yl-3-(trifluoromethyl)pyrrolidine.

Molecular Properties

• Compound Name: 6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-1-propan-2-ylazetidine;4,4-difluoro-1-propan-2-ylpiperidine;2,2-dimethyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpiperidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;bis((2S)-2-methyl-1-propan-2-ylpyrrolidine);3-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;1-propan-2-yl-3-(trifluoromethyl)pyrrolidine
• PubChem CID: 161374833
• Molecular Formula: C87H169F12N11
• Molecular Weight: 1597.36 g/mol
• Exact Mass: 1596.34
• IUPAC Name: 6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-1-propan-2-ylazetidine;4,4-difluoro-1-propan-2-ylpiperidine;2,2-dimethyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpiperidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;bis((2S)-2-methyl-1-propan-2-ylpyrrolidine);3-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;1-propan-2-yl-3-(trifluoromethyl)pyrrolidine
• SMILES: CC(C)N1CC(C(F)(F)F)C1.CC(C)N1CC(F)(F)C1.CC(C)N1CC2C(C1)C2(F)F.CC(C)N1CC2CC2C1.CC(C)N1CCC(C(F)(F)F)C1.CC(C)N1CCC(F)(F)CC1.CC(C)N1CCCC1(C)C.CC(C)N1CCCC[C@@H]1C.CC(C)N1CCC[C@@H]1C.CC(C)N1CCC[C@@H]1C.CC(C)N1CCC[C@H]1C
• InChI: InChI=1S/2C9H19N.C8H14F3N.C8H13F2N.C8H15F2N.C8H15N.3C8H17N.C7H12F3N.C6H11F2N/c1-8(2)10-7-5-6-9(10,3)4;1-8(2)10-7-5-4-6-9(10)3;1-6(2)12-4-3-7(5-12)8(9,10)11;1-5(2)11-3-6-7(4-11)8(6,9)10;1-7(2)11-5-3-8(9,10)4-6-11;1-6(2)9-4-7-3-8(7)5-9;3*1-7(2)9-6-4-5-8(9)3;1-5(2)11-3-6(4-11)7(8,9)10;1-5(2)9-3-6(7,8)4-9/h8H,5-7H2,1-4H3;8-9H,4-7H2,1-3H3;6-7H,3-5H2,1-2H3;5-7H,3-4H2,1-2H3;7H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;3*7-8H,4-6H2,1-3H3;5-6H,3-4H2,1-2H3;5H,3-4H2,1-2H3/t;9-;;;;;3*8-;;/m.0....100../s1
• InChIKey: VQYAGHQAJXKWNG-YYEOAZHRSA-N
• XLogP: 20.75
• TPSA: 35.64 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1597.36
LogP ≤ 5	20.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-1-propan-2-ylazetidine;4,4-difluoro-1-propan-2-ylpiperidine;2,2-dimethyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpiperidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;bis((2S)-2-methyl-1-propan-2-ylpyrrolidine);3-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;1-propan-2-yl-3-(trifluoromethyl)pyrrolidine?

The IUPAC name of 6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-1-propan-2-ylazetidine;4,4-difluoro-1-propan-2-ylpiperidine;2,2-dimethyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpiperidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;bis((2S)-2-methyl-1-propan-2-ylpyrrolidine);3-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;1-propan-2-yl-3-(trifluoromethyl)pyrrolidine (CID 161374833) is 6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-1-propan-2-ylazetidine;4,4-difluoro-1-propan-2-ylpiperidine;2,2-dimethyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpiperidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;bis((2S)-2-methyl-1-propan-2-ylpyrrolidine);3-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;1-propan-2-yl-3-(trifluoromethyl)pyrrolidine.

What is the SMILES notation for 6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-1-propan-2-ylazetidine;4,4-difluoro-1-propan-2-ylpiperidine;2,2-dimethyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpiperidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;bis((2S)-2-methyl-1-propan-2-ylpyrrolidine);3-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;1-propan-2-yl-3-(trifluoromethyl)pyrrolidine?

The canonical SMILES for 6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-1-propan-2-ylazetidine;4,4-difluoro-1-propan-2-ylpiperidine;2,2-dimethyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpiperidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;bis((2S)-2-methyl-1-propan-2-ylpyrrolidine);3-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;1-propan-2-yl-3-(trifluoromethyl)pyrrolidine is CC(C)N1CC(C(F)(F)F)C1.CC(C)N1CC(F)(F)C1.CC(C)N1CC2C(C1)C2(F)F.CC(C)N1CC2CC2C1.CC(C)N1CCC(C(F)(F)F)C1.CC(C)N1CCC(F)(F)CC1.CC(C)N1CCCC1(C)C.CC(C)N1CCCC[C@@H]1C.CC(C)N1CCC[C@@H]1C.CC(C)N1CCC[C@@H]1C.CC(C)N1CCC[C@H]1C.

What is the InChIKey of 6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-1-propan-2-ylazetidine;4,4-difluoro-1-propan-2-ylpiperidine;2,2-dimethyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpiperidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;bis((2S)-2-methyl-1-propan-2-ylpyrrolidine);3-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;1-propan-2-yl-3-(trifluoromethyl)pyrrolidine?

The InChIKey is VQYAGHQAJXKWNG-YYEOAZHRSA-N. The full InChI is InChI=1S/2C9H19N.C8H14F3N.C8H13F2N.C8H15F2N.C8H15N.3C8H17N.C7H12F3N.C6H11F2N/c1-8(2)10-7-5-6-9(10,3)4;1-8(2)10-7-5-4-6-9(10)3;1-6(2)12-4-3-7(5-12)8(9,10)11;1-5(2)11-3-6-7(4-11)8(6,9)10;1-7(2)11-5-3-8(9,10)4-6-11;1-6(2)9-4-7-3-8(7)5-9;3*1-7(2)9-6-4-5-8(9)3;1-5(2)11-3-6(4-11)7(8,9)10;1-5(2)9-3-6(7,8)4-9/h8H,5-7H2,1-4H3;8-9H,4-7H2,1-3H3;6-7H,3-5H2,1-2H3;5-7H,3-4H2,1-2H3;7H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;3*7-8H,4-6H2,1-3H3;5-6H,3-4H2,1-2H3;5H,3-4H2,1-2H3/t;9-;;;;;3*8-;;/m.0....100../s1.

What are the key properties of 6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-1-propan-2-ylazetidine;4,4-difluoro-1-propan-2-ylpiperidine;2,2-dimethyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpiperidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;bis((2S)-2-methyl-1-propan-2-ylpyrrolidine);3-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;1-propan-2-yl-3-(trifluoromethyl)pyrrolidine?

6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-1-propan-2-ylazetidine;4,4-difluoro-1-propan-2-ylpiperidine;2,2-dimethyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpiperidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;bis((2S)-2-methyl-1-propan-2-ylpyrrolidine);3-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;1-propan-2-yl-3-(trifluoromethyl)pyrrolidine has a molecular weight of 1597.36 g/mol, XLogP of 20.75, 11 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-1-propan-2-ylazetidine;4,4-difluoro-1-propan-2-ylpiperidine;2,2-dimethyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpiperidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;bis((2S)-2-methyl-1-propan-2-ylpyrrolidine);3-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;1-propan-2-yl-3-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 161374833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).