6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;2,2-difluoro-1-propan-2-ylazetidine;3,3-difluoro-1-propan-2-ylpiperidine;7-fluoro-5-propan-2-yl-5-azaspiro[2.4]heptane;2-methyl-1-propan-2-ylazetidine;2-methyl-1-propan-2-ylpyrrolidine;5-propan-2-yl-5-azaspiro[2.4]heptane;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane

C100H178F20N12O — CID 159670179

About 6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;2,2-difluoro-1-propan-2-ylazetidine;3,3-difluoro-1-propan-2-ylpiperidine;7-fluoro-5-propan-2-yl-5-azaspiro[2.4]heptane;2-methyl-1-propan-2-ylazetidine;2-methyl-1-propan-2-ylpyrrolidine;5-propan-2-yl-5-azaspiro[2.4]heptane;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane

6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;2,2-difluoro-1-propan-2-ylazetidine;3,3-difluoro-1-propan-2-ylpiperidine;7-fluoro-5-propan-2-yl-5-azaspiro[2.4]heptane;2-methyl-1-propan-2-ylazetidine;2-methyl-1-propan-2-ylpyrrolidine;5-propan-2-yl-5-azaspiro[2.4]heptane;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane (PubChem CID 159670179) has the molecular formula C100H178F20N12O and a molecular weight of 1944.57 g/mol. Its IUPAC name is 6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;2,2-difluoro-1-propan-2-ylazetidine;3,3-difluoro-1-propan-2-ylpiperidine;7-fluoro-5-propan-2-yl-5-azaspiro[2.4]heptane;2-methyl-1-propan-2-ylazetidine;2-methyl-1-propan-2-ylpyrrolidine;5-propan-2-yl-5-azaspiro[2.4]heptane;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane.

Molecular Properties

• Compound Name: 6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;2,2-difluoro-1-propan-2-ylazetidine;3,3-difluoro-1-propan-2-ylpiperidine;7-fluoro-5-propan-2-yl-5-azaspiro[2.4]heptane;2-methyl-1-propan-2-ylazetidine;2-methyl-1-propan-2-ylpyrrolidine;5-propan-2-yl-5-azaspiro[2.4]heptane;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane
• PubChem CID: 159670179
• Molecular Formula: C100H178F20N12O
• Molecular Weight: 1944.57 g/mol
• Exact Mass: 1943.39
• IUPAC Name: 6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;2,2-difluoro-1-propan-2-ylazetidine;3,3-difluoro-1-propan-2-ylpiperidine;7-fluoro-5-propan-2-yl-5-azaspiro[2.4]heptane;2-methyl-1-propan-2-ylazetidine;2-methyl-1-propan-2-ylpyrrolidine;5-propan-2-yl-5-azaspiro[2.4]heptane;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane
• SMILES: CC(C)N1C2CCC(OC2)C1C(F)(F)F.CC(C)N1C2CCC1CC(F)(F)C2.CC(C)N1CC(C(F)(F)F)C1.CC(C)N1CC(F)C2(CC2)C1.CC(C)N1CC2C(C1)C2(F)F.CC(C)N1CC2CC2C1C(F)(F)F.CC(C)N1CCC1(F)F.CC(C)N1CCC12CC(F)(F)C2.CC(C)N1CCC1C.CC(C)N1CCC2(CC2)C1.CC(C)N1CCCC(F)(F)C1.CC(C)N1CCCC1C
• InChI: InChI=1S/C10H16F3NO.C10H17F2N.C9H14F3N.C9H15F2N.C9H16FN.C9H17N.C8H13F2N.C8H15F2N.C8H17N.C7H12F3N.C7H15N.C6H11F2N/c1-6(2)14-7-3-4-8(15-5-7)9(14)10(11,12)13;1-7(2)13-8-3-4-9(13)6-10(11,12)5-8;1-5(2)13-4-6-3-7(6)8(13)9(10,11)12;1-7(2)12-4-3-8(12)5-9(10,11)6-8;1-7(2)11-5-8(10)9(6-11)3-4-9;1-8(2)10-6-5-9(7-10)3-4-9;1-5(2)11-3-6-7(4-11)8(6,9)10;1-7(2)11-5-3-4-8(9,10)6-11;1-7(2)9-6-4-5-8(9)3;1-5(2)11-3-6(4-11)7(8,9)10;1-6(2)8-5-4-7(8)3;1-5(2)9-4-3-6(9,7)8/h6-9H,3-5H2,1-2H3;7-9H,3-6H2,1-2H3;5-8H,3-4H2,1-2H3;7H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;8H,3-7H2,1-2H3;5-7H,3-4H2,1-2H3;7H,3-6H2,1-2H3;7-8H,4-6H2,1-3H3;5-6H,3-4H2,1-2H3;6-7H,4-5H2,1-3H3;5H,3-4H2,1-2H3
• InChIKey: MTXAWRWWICYABN-UHFFFAOYSA-N
• XLogP: 23.77
• TPSA: 48.11 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1944.57
LogP ≤ 5	23.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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-8-propan-2-yl-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;2,2-difluoro-1-propan-2-ylazetidine;3,3-difluoro-1-propan-2-ylpiperidine;7-fluoro-5-propan-2-yl-5-azaspiro[2.4]heptane;2-methyl-1-propan-2-ylazetidine;2-methyl-1-propan-2-ylpyrrolidine;5-propan-2-yl-5-azaspiro[2.4]heptane;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane?

The IUPAC name of 6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;2,2-difluoro-1-propan-2-ylazetidine;3,3-difluoro-1-propan-2-ylpiperidine;7-fluoro-5-propan-2-yl-5-azaspiro[2.4]heptane;2-methyl-1-propan-2-ylazetidine;2-methyl-1-propan-2-ylpyrrolidine;5-propan-2-yl-5-azaspiro[2.4]heptane;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane (CID 159670179) is 6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;2,2-difluoro-1-propan-2-ylazetidine;3,3-difluoro-1-propan-2-ylpiperidine;7-fluoro-5-propan-2-yl-5-azaspiro[2.4]heptane;2-methyl-1-propan-2-ylazetidine;2-methyl-1-propan-2-ylpyrrolidine;5-propan-2-yl-5-azaspiro[2.4]heptane;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane.

What is the SMILES notation for 6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;2,2-difluoro-1-propan-2-ylazetidine;3,3-difluoro-1-propan-2-ylpiperidine;7-fluoro-5-propan-2-yl-5-azaspiro[2.4]heptane;2-methyl-1-propan-2-ylazetidine;2-methyl-1-propan-2-ylpyrrolidine;5-propan-2-yl-5-azaspiro[2.4]heptane;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane?

The canonical SMILES for 6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;2,2-difluoro-1-propan-2-ylazetidine;3,3-difluoro-1-propan-2-ylpiperidine;7-fluoro-5-propan-2-yl-5-azaspiro[2.4]heptane;2-methyl-1-propan-2-ylazetidine;2-methyl-1-propan-2-ylpyrrolidine;5-propan-2-yl-5-azaspiro[2.4]heptane;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane is CC(C)N1C2CCC(OC2)C1C(F)(F)F.CC(C)N1C2CCC1CC(F)(F)C2.CC(C)N1CC(C(F)(F)F)C1.CC(C)N1CC(F)C2(CC2)C1.CC(C)N1CC2C(C1)C2(F)F.CC(C)N1CC2CC2C1C(F)(F)F.CC(C)N1CCC1(F)F.CC(C)N1CCC12CC(F)(F)C2.CC(C)N1CCC1C.CC(C)N1CCC2(CC2)C1.CC(C)N1CCCC(F)(F)C1.CC(C)N1CCCC1C.

What is the InChIKey of 6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;2,2-difluoro-1-propan-2-ylazetidine;3,3-difluoro-1-propan-2-ylpiperidine;7-fluoro-5-propan-2-yl-5-azaspiro[2.4]heptane;2-methyl-1-propan-2-ylazetidine;2-methyl-1-propan-2-ylpyrrolidine;5-propan-2-yl-5-azaspiro[2.4]heptane;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane?

The InChIKey is MTXAWRWWICYABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO.C10H17F2N.C9H14F3N.C9H15F2N.C9H16FN.C9H17N.C8H13F2N.C8H15F2N.C8H17N.C7H12F3N.C7H15N.C6H11F2N/c1-6(2)14-7-3-4-8(15-5-7)9(14)10(11,12)13;1-7(2)13-8-3-4-9(13)6-10(11,12)5-8;1-5(2)13-4-6-3-7(6)8(13)9(10,11)12;1-7(2)12-4-3-8(12)5-9(10,11)6-8;1-7(2)11-5-8(10)9(6-11)3-4-9;1-8(2)10-6-5-9(7-10)3-4-9;1-5(2)11-3-6-7(4-11)8(6,9)10;1-7(2)11-5-3-4-8(9,10)6-11;1-7(2)9-6-4-5-8(9)3;1-5(2)11-3-6(4-11)7(8,9)10;1-6(2)8-5-4-7(8)3;1-5(2)9-4-3-6(9,7)8/h6-9H,3-5H2,1-2H3;7-9H,3-6H2,1-2H3;5-8H,3-4H2,1-2H3;7H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;8H,3-7H2,1-2H3;5-7H,3-4H2,1-2H3;7H,3-6H2,1-2H3;7-8H,4-6H2,1-3H3;5-6H,3-4H2,1-2H3;6-7H,4-5H2,1-3H3;5H,3-4H2,1-2H3.

What are the key properties of 6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;2,2-difluoro-1-propan-2-ylazetidine;3,3-difluoro-1-propan-2-ylpiperidine;7-fluoro-5-propan-2-yl-5-azaspiro[2.4]heptane;2-methyl-1-propan-2-ylazetidine;2-methyl-1-propan-2-ylpyrrolidine;5-propan-2-yl-5-azaspiro[2.4]heptane;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane?

6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;2,2-difluoro-1-propan-2-ylazetidine;3,3-difluoro-1-propan-2-ylpiperidine;7-fluoro-5-propan-2-yl-5-azaspiro[2.4]heptane;2-methyl-1-propan-2-ylazetidine;2-methyl-1-propan-2-ylpyrrolidine;5-propan-2-yl-5-azaspiro[2.4]heptane;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane has a molecular weight of 1944.57 g/mol, XLogP of 23.77, 12 rotatable bonds, 0 hydrogen bond donors, and 13 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-8-propan-2-yl-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;2,2-difluoro-1-propan-2-ylazetidine;3,3-difluoro-1-propan-2-ylpiperidine;7-fluoro-5-propan-2-yl-5-azaspiro[2.4]heptane;2-methyl-1-propan-2-ylazetidine;2-methyl-1-propan-2-ylpyrrolidine;5-propan-2-yl-5-azaspiro[2.4]heptane;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane is sourced from PubChem (CID 159670179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).