2,2-difluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane;2,2-difluoro-5-propan-2-yl-1-azabicyclo[2.2.2]octane;3,3-difluoro-5-propan-2-yl-1-azabicyclo[2.2.2]octane;4-fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane;2-methyl-4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-methyl-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;3-methyl-8-propan-2-yl-3-azabicyclo[3.2.1]octane;8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane;3-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-1-azabicyclo[3.2.1]octane;4-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

C134H248F7N13O — CID 167644291

About 2,2-difluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane;2,2-difluoro-5-propan-2-yl-1-azabicyclo[2.2.2]octane;3,3-difluoro-5-propan-2-yl-1-azabicyclo[2.2.2]octane;4-fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane;2-methyl-4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-methyl-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;3-methyl-8-propan-2-yl-3-azabicyclo[3.2.1]octane;8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane;3-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-1-azabicyclo[3.2.1]octane;4-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

2,2-difluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane;2,2-difluoro-5-propan-2-yl-1-azabicyclo[2.2.2]octane;3,3-difluoro-5-propan-2-yl-1-azabicyclo[2.2.2]octane;4-fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane;2-methyl-4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-methyl-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;3-methyl-8-propan-2-yl-3-azabicyclo[3.2.1]octane;8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane;3-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-1-azabicyclo[3.2.1]octane;4-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (PubChem CID 167644291) has the molecular formula C134H248F7N13O and a molecular weight of 2190.53 g/mol. Its IUPAC name is 2,2-difluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane;2,2-difluoro-5-propan-2-yl-1-azabicyclo[2.2.2]octane;3,3-difluoro-5-propan-2-yl-1-azabicyclo[2.2.2]octane;4-fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane;2-methyl-4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-methyl-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;3-methyl-8-propan-2-yl-3-azabicyclo[3.2.1]octane;8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane;3-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-1-azabicyclo[3.2.1]octane;4-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.

Molecular Properties

• Compound Name: 2,2-difluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane;2,2-difluoro-5-propan-2-yl-1-azabicyclo[2.2.2]octane;3,3-difluoro-5-propan-2-yl-1-azabicyclo[2.2.2]octane;4-fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane;2-methyl-4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-methyl-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;3-methyl-8-propan-2-yl-3-azabicyclo[3.2.1]octane;8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane;3-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-1-azabicyclo[3.2.1]octane;4-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
• PubChem CID: 167644291
• Molecular Formula: C134H248F7N13O
• Molecular Weight: 2190.53 g/mol
• Exact Mass: 2188.96
• IUPAC Name: 2,2-difluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane;2,2-difluoro-5-propan-2-yl-1-azabicyclo[2.2.2]octane;3,3-difluoro-5-propan-2-yl-1-azabicyclo[2.2.2]octane;4-fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane;2-methyl-4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-methyl-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;3-methyl-8-propan-2-yl-3-azabicyclo[3.2.1]octane;8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane;3-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-1-azabicyclo[3.2.1]octane;4-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
• SMILES: CC(C)C12CCN(CC1)CC2.CC(C)C1C2CCC1CN(C)C2.CC(C)C1C2CCN(CC2)C1(F)F.CC(C)C1CC2CCC(C1)N2C.CC(C)C1CC2CCN(C2)C1.CC(C)C1CCC2CCC1N2C.CC(C)C1CCC2CCCN21.CC(C)C1CCC2CN(C)CC21.CC(C)C1CN2CCC1(F)CC2.CC(C)C1CN2CCC1C(F)(F)C2.CC(C)C1CN2CCC1CC2.CC(C)C1CN2CCC1CC2(F)F.CC(C)C1COC2CN(C)CC21
• InChI: InChI=1S/4C11H21N.3C10H17F2N.C10H18FN.C10H19NO.4C10H19N/c1-8(2)10-6-4-9-5-7-11(10)12(9)3;1-8(2)9-6-10-4-5-11(7-9)12(10)3;1-8(2)10-5-4-9-6-12(3)7-11(9)10;1-8(2)11-9-4-5-10(11)7-12(3)6-9;1-7(2)9-8-3-5-13(6-4-8)10(9,11)12;1-7(2)8-5-13-4-3-9(8)10(11,12)6-13;1-7(2)9-6-13-4-3-8(9)5-10(13,11)12;1-8(2)9-7-12-5-3-10(9,11)4-6-12;1-7(2)9-6-12-10-5-11(3)4-8(9)10;1-9(2)10-3-6-11(7-4-10)8-5-10;1-8(2)10-7-11-5-3-9(10)4-6-11;1-8(2)10-5-9-3-4-11(6-9)7-10;1-8(2)10-6-5-9-4-3-7-11(9)10/h4*8-11H,4-7H2,1-3H3;3*7-9H,3-6H2,1-2H3;8-9H,3-7H2,1-2H3;7-10H,4-6H2,1-3H3;9H,3-8H2,1-2H3;3*8-10H,3-7H2,1-2H3
• InChIKey: PPVVDIKINGCGHV-UHFFFAOYSA-N
• XLogP: 28.54
• TPSA: 51.35 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 13
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2190.53
LogP ≤ 5	28.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane;2,2-difluoro-5-propan-2-yl-1-azabicyclo[2.2.2]octane;3,3-difluoro-5-propan-2-yl-1-azabicyclo[2.2.2]octane;4-fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane;2-methyl-4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-methyl-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;3-methyl-8-propan-2-yl-3-azabicyclo[3.2.1]octane;8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane;3-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-1-azabicyclo[3.2.1]octane;4-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?

The IUPAC name of 2,2-difluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane;2,2-difluoro-5-propan-2-yl-1-azabicyclo[2.2.2]octane;3,3-difluoro-5-propan-2-yl-1-azabicyclo[2.2.2]octane;4-fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane;2-methyl-4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-methyl-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;3-methyl-8-propan-2-yl-3-azabicyclo[3.2.1]octane;8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane;3-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-1-azabicyclo[3.2.1]octane;4-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (CID 167644291) is 2,2-difluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane;2,2-difluoro-5-propan-2-yl-1-azabicyclo[2.2.2]octane;3,3-difluoro-5-propan-2-yl-1-azabicyclo[2.2.2]octane;4-fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane;2-methyl-4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-methyl-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;3-methyl-8-propan-2-yl-3-azabicyclo[3.2.1]octane;8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane;3-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-1-azabicyclo[3.2.1]octane;4-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.

What is the SMILES notation for 2,2-difluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane;2,2-difluoro-5-propan-2-yl-1-azabicyclo[2.2.2]octane;3,3-difluoro-5-propan-2-yl-1-azabicyclo[2.2.2]octane;4-fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane;2-methyl-4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-methyl-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;3-methyl-8-propan-2-yl-3-azabicyclo[3.2.1]octane;8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane;3-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-1-azabicyclo[3.2.1]octane;4-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?

The canonical SMILES for 2,2-difluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane;2,2-difluoro-5-propan-2-yl-1-azabicyclo[2.2.2]octane;3,3-difluoro-5-propan-2-yl-1-azabicyclo[2.2.2]octane;4-fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane;2-methyl-4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-methyl-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;3-methyl-8-propan-2-yl-3-azabicyclo[3.2.1]octane;8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane;3-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-1-azabicyclo[3.2.1]octane;4-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is CC(C)C12CCN(CC1)CC2.CC(C)C1C2CCC1CN(C)C2.CC(C)C1C2CCN(CC2)C1(F)F.CC(C)C1CC2CCC(C1)N2C.CC(C)C1CC2CCN(C2)C1.CC(C)C1CCC2CCC1N2C.CC(C)C1CCC2CCCN21.CC(C)C1CCC2CN(C)CC21.CC(C)C1CN2CCC1(F)CC2.CC(C)C1CN2CCC1C(F)(F)C2.CC(C)C1CN2CCC1CC2.CC(C)C1CN2CCC1CC2(F)F.CC(C)C1COC2CN(C)CC21.

What is the InChIKey of 2,2-difluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane;2,2-difluoro-5-propan-2-yl-1-azabicyclo[2.2.2]octane;3,3-difluoro-5-propan-2-yl-1-azabicyclo[2.2.2]octane;4-fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane;2-methyl-4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-methyl-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;3-methyl-8-propan-2-yl-3-azabicyclo[3.2.1]octane;8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane;3-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-1-azabicyclo[3.2.1]octane;4-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?

The InChIKey is PPVVDIKINGCGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/4C11H21N.3C10H17F2N.C10H18FN.C10H19NO.4C10H19N/c1-8(2)10-6-4-9-5-7-11(10)12(9)3;1-8(2)9-6-10-4-5-11(7-9)12(10)3;1-8(2)10-5-4-9-6-12(3)7-11(9)10;1-8(2)11-9-4-5-10(11)7-12(3)6-9;1-7(2)9-8-3-5-13(6-4-8)10(9,11)12;1-7(2)8-5-13-4-3-9(8)10(11,12)6-13;1-7(2)9-6-13-4-3-8(9)5-10(13,11)12;1-8(2)9-7-12-5-3-10(9,11)4-6-12;1-7(2)9-6-12-10-5-11(3)4-8(9)10;1-9(2)10-3-6-11(7-4-10)8-5-10;1-8(2)10-7-11-5-3-9(10)4-6-11;1-8(2)10-5-9-3-4-11(6-9)7-10;1-8(2)10-6-5-9-4-3-7-11(9)10/h4*8-11H,4-7H2,1-3H3;3*7-9H,3-6H2,1-2H3;8-9H,3-7H2,1-2H3;7-10H,4-6H2,1-3H3;9H,3-8H2,1-2H3;3*8-10H,3-7H2,1-2H3.

What are the key properties of 2,2-difluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane;2,2-difluoro-5-propan-2-yl-1-azabicyclo[2.2.2]octane;3,3-difluoro-5-propan-2-yl-1-azabicyclo[2.2.2]octane;4-fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane;2-methyl-4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-methyl-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;3-methyl-8-propan-2-yl-3-azabicyclo[3.2.1]octane;8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane;3-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-1-azabicyclo[3.2.1]octane;4-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?

2,2-difluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane;2,2-difluoro-5-propan-2-yl-1-azabicyclo[2.2.2]octane;3,3-difluoro-5-propan-2-yl-1-azabicyclo[2.2.2]octane;4-fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane;2-methyl-4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-methyl-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;3-methyl-8-propan-2-yl-3-azabicyclo[3.2.1]octane;8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane;3-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-1-azabicyclo[3.2.1]octane;4-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine has a molecular weight of 2190.53 g/mol, XLogP of 28.54, 13 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-difluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane;2,2-difluoro-5-propan-2-yl-1-azabicyclo[2.2.2]octane;3,3-difluoro-5-propan-2-yl-1-azabicyclo[2.2.2]octane;4-fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane;2-methyl-4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-methyl-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;3-methyl-8-propan-2-yl-3-azabicyclo[3.2.1]octane;8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane;3-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-1-azabicyclo[3.2.1]octane;4-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is sourced from PubChem (CID 167644291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).