5-tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;8-tert-butyl-3,3-difluoro-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;2,2-difluoro-1-methylazetidine;6-fluoro-6-methyl-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;2-methyl-3-propan-2-yl-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

C91H169F13N10O — CID 165026515

About 5-tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;8-tert-butyl-3,3-difluoro-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;2,2-difluoro-1-methylazetidine;6-fluoro-6-methyl-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;2-methyl-3-propan-2-yl-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

5-tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;8-tert-butyl-3,3-difluoro-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;2,2-difluoro-1-methylazetidine;6-fluoro-6-methyl-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;2-methyl-3-propan-2-yl-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 165026515) has the molecular formula C91H169F13N10O and a molecular weight of 1666.40 g/mol. Its IUPAC name is 5-tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;8-tert-butyl-3,3-difluoro-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;2,2-difluoro-1-methylazetidine;6-fluoro-6-methyl-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;2-methyl-3-propan-2-yl-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: 5-tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;8-tert-butyl-3,3-difluoro-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;2,2-difluoro-1-methylazetidine;6-fluoro-6-methyl-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;2-methyl-3-propan-2-yl-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: 165026515
• Molecular Formula: C91H169F13N10O
• Molecular Weight: 1666.40 g/mol
• Exact Mass: 1665.33
• IUPAC Name: 5-tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;8-tert-butyl-3,3-difluoro-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;2,2-difluoro-1-methylazetidine;6-fluoro-6-methyl-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;2-methyl-3-propan-2-yl-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: C.C.CC(C)(C)N1C2CCC1CC(F)(F)C2.CC(C)(C)N1CC2C(C1)C2(F)F.CC(C)(C)N1CCC2(CC2)C1.CC(C)N1C2CCC(OC2)C1C(F)(F)F.CC(C)N1CC(C(F)(F)F)C1.CC(C)N1CC2CC2C1C.CC(C)N1CCC12CC(C)(F)C2.CC1CCN1C(C)(C)C.CC1CN(C(C)(C)C)CC12CC2.CN1CCC1(F)F
• InChI: InChI=1S/C11H19F2N.C11H21N.C10H16F3NO.C10H18FN.C10H19N.C9H15F2N.C9H17N.C8H17N.C7H12F3N.C4H7F2N.2CH4/c1-10(2,3)14-8-4-5-9(14)7-11(12,13)6-8;1-9-7-12(10(2,3)4)8-11(9)5-6-11;1-6(2)14-7-3-4-8(15-5-7)9(14)10(11,12)13;1-8(2)12-5-4-10(12)6-9(3,11)7-10;1-9(2,3)11-7-6-10(8-11)4-5-10;1-8(2,3)12-4-6-7(5-12)9(6,10)11;1-6(2)10-5-8-4-9(8)7(10)3;1-7-5-6-9(7)8(2,3)4;1-5(2)11-3-6(4-11)7(8,9)10;1-7-3-2-4(7,5)6;;/h8-9H,4-7H2,1-3H3;9H,5-8H2,1-4H3;6-9H,3-5H2,1-2H3;8H,4-7H2,1-3H3;4-8H2,1-3H3;6-7H,4-5H2,1-3H3;6-9H,4-5H2,1-3H3;7H,5-6H2,1-4H3;5-6H,3-4H2,1-2H3;2-3H2,1H3;2*1H4
• InChIKey: LYWWGFMLJCIQSC-UHFFFAOYSA-N
• XLogP: 22.06
• TPSA: 41.63 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1666.40
LogP ≤ 5	22.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;8-tert-butyl-3,3-difluoro-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;2,2-difluoro-1-methylazetidine;6-fluoro-6-methyl-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;2-methyl-3-propan-2-yl-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 5-tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;8-tert-butyl-3,3-difluoro-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;2,2-difluoro-1-methylazetidine;6-fluoro-6-methyl-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;2-methyl-3-propan-2-yl-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 165026515) is 5-tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;8-tert-butyl-3,3-difluoro-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;2,2-difluoro-1-methylazetidine;6-fluoro-6-methyl-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;2-methyl-3-propan-2-yl-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 5-tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;8-tert-butyl-3,3-difluoro-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;2,2-difluoro-1-methylazetidine;6-fluoro-6-methyl-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;2-methyl-3-propan-2-yl-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 5-tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;8-tert-butyl-3,3-difluoro-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;2,2-difluoro-1-methylazetidine;6-fluoro-6-methyl-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;2-methyl-3-propan-2-yl-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 C.C.CC(C)(C)N1C2CCC1CC(F)(F)C2.CC(C)(C)N1CC2C(C1)C2(F)F.CC(C)(C)N1CCC2(CC2)C1.CC(C)N1C2CCC(OC2)C1C(F)(F)F.CC(C)N1CC(C(F)(F)F)C1.CC(C)N1CC2CC2C1C.CC(C)N1CCC12CC(C)(F)C2.CC1CCN1C(C)(C)C.CC1CN(C(C)(C)C)CC12CC2.CN1CCC1(F)F.

What is the InChIKey of 5-tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;8-tert-butyl-3,3-difluoro-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;2,2-difluoro-1-methylazetidine;6-fluoro-6-methyl-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;2-methyl-3-propan-2-yl-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 LYWWGFMLJCIQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N.C11H21N.C10H16F3NO.C10H18FN.C10H19N.C9H15F2N.C9H17N.C8H17N.C7H12F3N.C4H7F2N.2CH4/c1-10(2,3)14-8-4-5-9(14)7-11(12,13)6-8;1-9-7-12(10(2,3)4)8-11(9)5-6-11;1-6(2)14-7-3-4-8(15-5-7)9(14)10(11,12)13;1-8(2)12-5-4-10(12)6-9(3,11)7-10;1-9(2,3)11-7-6-10(8-11)4-5-10;1-8(2,3)12-4-6-7(5-12)9(6,10)11;1-6(2)10-5-8-4-9(8)7(10)3;1-7-5-6-9(7)8(2,3)4;1-5(2)11-3-6(4-11)7(8,9)10;1-7-3-2-4(7,5)6;;/h8-9H,4-7H2,1-3H3;9H,5-8H2,1-4H3;6-9H,3-5H2,1-2H3;8H,4-7H2,1-3H3;4-8H2,1-3H3;6-7H,4-5H2,1-3H3;6-9H,4-5H2,1-3H3;7H,5-6H2,1-4H3;5-6H,3-4H2,1-2H3;2-3H2,1H3;2*1H4.

What are the key properties of 5-tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;8-tert-butyl-3,3-difluoro-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;2,2-difluoro-1-methylazetidine;6-fluoro-6-methyl-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;2-methyl-3-propan-2-yl-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?

5-tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;8-tert-butyl-3,3-difluoro-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;2,2-difluoro-1-methylazetidine;6-fluoro-6-methyl-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;2-methyl-3-propan-2-yl-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 1666.40 g/mol, XLogP of 22.06, 4 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;8-tert-butyl-3,3-difluoro-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;2,2-difluoro-1-methylazetidine;6-fluoro-6-methyl-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;2-methyl-3-propan-2-yl-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 165026515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).