1,3-bis(2,6-difluorophenyl)-2-methyl-1-azaspiro[4.4]nonane;1,4-bis(2,6-difluorophenyl)-2,2,5-trimethylpyrrolidine;1-(2,6-diethylphenyl)-4-[2,7-di(propan-2-yl)naphthalen-1-yl]-2,2,5-trimethylpyrrolidine;1-(2-ethyl-6-methylphenyl)-2,2,5-trimethyl-4-phenylpyrrolidine;propane

C107H146F8N4 — CID 158631417

About 1,3-bis(2,6-difluorophenyl)-2-methyl-1-azaspiro[4.4]nonane;1,4-bis(2,6-difluorophenyl)-2,2,5-trimethylpyrrolidine;1-(2,6-diethylphenyl)-4-[2,7-di(propan-2-yl)naphthalen-1-yl]-2,2,5-trimethylpyrrolidine;1-(2-ethyl-6-methylphenyl)-2,2,5-trimethyl-4-phenylpyrrolidine;propane

1,3-bis(2,6-difluorophenyl)-2-methyl-1-azaspiro[4.4]nonane;1,4-bis(2,6-difluorophenyl)-2,2,5-trimethylpyrrolidine;1-(2,6-diethylphenyl)-4-[2,7-di(propan-2-yl)naphthalen-1-yl]-2,2,5-trimethylpyrrolidine;1-(2-ethyl-6-methylphenyl)-2,2,5-trimethyl-4-phenylpyrrolidine;propane (PubChem CID 158631417) has the molecular formula C107H146F8N4 and a molecular weight of 1640.36 g/mol. Its IUPAC name is 1,3-bis(2,6-difluorophenyl)-2-methyl-1-azaspiro[4.4]nonane;1,4-bis(2,6-difluorophenyl)-2,2,5-trimethylpyrrolidine;1-(2,6-diethylphenyl)-4-[2,7-di(propan-2-yl)naphthalen-1-yl]-2,2,5-trimethylpyrrolidine;1-(2-ethyl-6-methylphenyl)-2,2,5-trimethyl-4-phenylpyrrolidine;propane.

Molecular Properties

• Compound Name: 1,3-bis(2,6-difluorophenyl)-2-methyl-1-azaspiro[4.4]nonane;1,4-bis(2,6-difluorophenyl)-2,2,5-trimethylpyrrolidine;1-(2,6-diethylphenyl)-4-[2,7-di(propan-2-yl)naphthalen-1-yl]-2,2,5-trimethylpyrrolidine;1-(2-ethyl-6-methylphenyl)-2,2,5-trimethyl-4-phenylpyrrolidine;propane
• PubChem CID: 158631417
• Molecular Formula: C107H146F8N4
• Molecular Weight: 1640.36 g/mol
• Exact Mass: 1639.14
• IUPAC Name: 1,3-bis(2,6-difluorophenyl)-2-methyl-1-azaspiro[4.4]nonane;1,4-bis(2,6-difluorophenyl)-2,2,5-trimethylpyrrolidine;1-(2,6-diethylphenyl)-4-[2,7-di(propan-2-yl)naphthalen-1-yl]-2,2,5-trimethylpyrrolidine;1-(2-ethyl-6-methylphenyl)-2,2,5-trimethyl-4-phenylpyrrolidine;propane
• SMILES: CC1C(c2c(F)cccc2F)CC(C)(C)N1c1c(F)cccc1F.CC1C(c2c(F)cccc2F)CC2(CCCC2)N1c1c(F)cccc1F.CCC.CCC.CCC.CCC.CCc1cccc(C)c1N1C(C)C(c2ccccc2)CC1(C)C.CCc1cccc(CC)c1N1C(C)C(c2c(C(C)C)ccc3ccc(C(C)C)cc23)CC1(C)C
• InChI: InChI=1S/C33H45N.C22H29N.C21H21F4N.C19H19F4N.4C3H8/c1-10-24-13-12-14-25(11-2)32(24)34-23(7)30(20-33(34,8)9)31-28(22(5)6)18-17-26-15-16-27(21(3)4)19-29(26)31;1-6-18-14-10-11-16(2)21(18)23-17(3)20(15-22(23,4)5)19-12-8-7-9-13-19;1-13-14(19-15(22)6-4-7-16(19)23)12-21(10-2-3-11-21)26(13)20-17(24)8-5-9-18(20)25;1-11-12(17-13(20)6-4-7-14(17)21)10-19(2,3)24(11)18-15(22)8-5-9-16(18)23;4*1-3-2/h12-19,21-23,30H,10-11,20H2,1-9H3;7-14,17,20H,6,15H2,1-5H3;4-9,13-14H,2-3,10-12H2,1H3;4-9,11-12H,10H2,1-3H3;4*3H2,1-2H3
• InChIKey: HZFZOKIZNQQPSB-UHFFFAOYSA-N
• XLogP: 32.10
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1640.36
LogP ≤ 5	32.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,6-difluorophenyl)-2-methyl-1-azaspiro[4.4]nonane;1,4-bis(2,6-difluorophenyl)-2,2,5-trimethylpyrrolidine;1-(2,6-diethylphenyl)-4-[2,7-di(propan-2-yl)naphthalen-1-yl]-2,2,5-trimethylpyrrolidine;1-(2-ethyl-6-methylphenyl)-2,2,5-trimethyl-4-phenylpyrrolidine;propane?

The IUPAC name of 1,3-bis(2,6-difluorophenyl)-2-methyl-1-azaspiro[4.4]nonane;1,4-bis(2,6-difluorophenyl)-2,2,5-trimethylpyrrolidine;1-(2,6-diethylphenyl)-4-[2,7-di(propan-2-yl)naphthalen-1-yl]-2,2,5-trimethylpyrrolidine;1-(2-ethyl-6-methylphenyl)-2,2,5-trimethyl-4-phenylpyrrolidine;propane (CID 158631417) is 1,3-bis(2,6-difluorophenyl)-2-methyl-1-azaspiro[4.4]nonane;1,4-bis(2,6-difluorophenyl)-2,2,5-trimethylpyrrolidine;1-(2,6-diethylphenyl)-4-[2,7-di(propan-2-yl)naphthalen-1-yl]-2,2,5-trimethylpyrrolidine;1-(2-ethyl-6-methylphenyl)-2,2,5-trimethyl-4-phenylpyrrolidine;propane.

What is the SMILES notation for 1,3-bis(2,6-difluorophenyl)-2-methyl-1-azaspiro[4.4]nonane;1,4-bis(2,6-difluorophenyl)-2,2,5-trimethylpyrrolidine;1-(2,6-diethylphenyl)-4-[2,7-di(propan-2-yl)naphthalen-1-yl]-2,2,5-trimethylpyrrolidine;1-(2-ethyl-6-methylphenyl)-2,2,5-trimethyl-4-phenylpyrrolidine;propane?

The canonical SMILES for 1,3-bis(2,6-difluorophenyl)-2-methyl-1-azaspiro[4.4]nonane;1,4-bis(2,6-difluorophenyl)-2,2,5-trimethylpyrrolidine;1-(2,6-diethylphenyl)-4-[2,7-di(propan-2-yl)naphthalen-1-yl]-2,2,5-trimethylpyrrolidine;1-(2-ethyl-6-methylphenyl)-2,2,5-trimethyl-4-phenylpyrrolidine;propane is CC1C(c2c(F)cccc2F)CC(C)(C)N1c1c(F)cccc1F.CC1C(c2c(F)cccc2F)CC2(CCCC2)N1c1c(F)cccc1F.CCC.CCC.CCC.CCC.CCc1cccc(C)c1N1C(C)C(c2ccccc2)CC1(C)C.CCc1cccc(CC)c1N1C(C)C(c2c(C(C)C)ccc3ccc(C(C)C)cc23)CC1(C)C.

What is the InChIKey of 1,3-bis(2,6-difluorophenyl)-2-methyl-1-azaspiro[4.4]nonane;1,4-bis(2,6-difluorophenyl)-2,2,5-trimethylpyrrolidine;1-(2,6-diethylphenyl)-4-[2,7-di(propan-2-yl)naphthalen-1-yl]-2,2,5-trimethylpyrrolidine;1-(2-ethyl-6-methylphenyl)-2,2,5-trimethyl-4-phenylpyrrolidine;propane?

The InChIKey is HZFZOKIZNQQPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H45N.C22H29N.C21H21F4N.C19H19F4N.4C3H8/c1-10-24-13-12-14-25(11-2)32(24)34-23(7)30(20-33(34,8)9)31-28(22(5)6)18-17-26-15-16-27(21(3)4)19-29(26)31;1-6-18-14-10-11-16(2)21(18)23-17(3)20(15-22(23,4)5)19-12-8-7-9-13-19;1-13-14(19-15(22)6-4-7-16(19)23)12-21(10-2-3-11-21)26(13)20-17(24)8-5-9-18(20)25;1-11-12(17-13(20)6-4-7-14(17)21)10-19(2,3)24(11)18-15(22)8-5-9-16(18)23;4*1-3-2/h12-19,21-23,30H,10-11,20H2,1-9H3;7-14,17,20H,6,15H2,1-5H3;4-9,13-14H,2-3,10-12H2,1H3;4-9,11-12H,10H2,1-3H3;4*3H2,1-2H3.

What are the key properties of 1,3-bis(2,6-difluorophenyl)-2-methyl-1-azaspiro[4.4]nonane;1,4-bis(2,6-difluorophenyl)-2,2,5-trimethylpyrrolidine;1-(2,6-diethylphenyl)-4-[2,7-di(propan-2-yl)naphthalen-1-yl]-2,2,5-trimethylpyrrolidine;1-(2-ethyl-6-methylphenyl)-2,2,5-trimethyl-4-phenylpyrrolidine;propane?

1,3-bis(2,6-difluorophenyl)-2-methyl-1-azaspiro[4.4]nonane;1,4-bis(2,6-difluorophenyl)-2,2,5-trimethylpyrrolidine;1-(2,6-diethylphenyl)-4-[2,7-di(propan-2-yl)naphthalen-1-yl]-2,2,5-trimethylpyrrolidine;1-(2-ethyl-6-methylphenyl)-2,2,5-trimethyl-4-phenylpyrrolidine;propane has a molecular weight of 1640.36 g/mol, XLogP of 32.10, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-bis(2,6-difluorophenyl)-2-methyl-1-azaspiro[4.4]nonane;1,4-bis(2,6-difluorophenyl)-2,2,5-trimethylpyrrolidine;1-(2,6-diethylphenyl)-4-[2,7-di(propan-2-yl)naphthalen-1-yl]-2,2,5-trimethylpyrrolidine;1-(2-ethyl-6-methylphenyl)-2,2,5-trimethyl-4-phenylpyrrolidine;propane is sourced from PubChem (CID 158631417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).