2-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-(oxolan-3-yl)-6-propan-2-ylpyridine;ethane;1-[6-ethyl-3-(oxolan-3-yl)-2-pyridinyl]-N-(fluoromethyl)-N-methylmethanamine;3-fluoroprop-1-ene;2-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-6-propan-2-ylpyridine;oxolane

C54H86F4N6O4 — CID 156652378

About 2-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-(oxolan-3-yl)-6-propan-2-ylpyridine;ethane;1-[6-ethyl-3-(oxolan-3-yl)-2-pyridinyl]-N-(fluoromethyl)-N-methylmethanamine;3-fluoroprop-1-ene;2-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-6-propan-2-ylpyridine;oxolane

2-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-(oxolan-3-yl)-6-propan-2-ylpyridine;ethane;1-[6-ethyl-3-(oxolan-3-yl)-2-pyridinyl]-N-(fluoromethyl)-N-methylmethanamine;3-fluoroprop-1-ene;2-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-6-propan-2-ylpyridine;oxolane (PubChem CID 156652378) has the molecular formula C54H86F4N6O4 and a molecular weight of 959.31 g/mol. Its IUPAC name is 2-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-(oxolan-3-yl)-6-propan-2-ylpyridine;ethane;1-[6-ethyl-3-(oxolan-3-yl)-2-pyridinyl]-N-(fluoromethyl)-N-methylmethanamine;3-fluoroprop-1-ene;2-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-6-propan-2-ylpyridine;oxolane.

Molecular Properties

• Compound Name: 2-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-(oxolan-3-yl)-6-propan-2-ylpyridine;ethane;1-[6-ethyl-3-(oxolan-3-yl)-2-pyridinyl]-N-(fluoromethyl)-N-methylmethanamine;3-fluoroprop-1-ene;2-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-6-propan-2-ylpyridine;oxolane
• PubChem CID: 156652378
• Molecular Formula: C54H86F4N6O4
• Molecular Weight: 959.31 g/mol
• Exact Mass: 958.66
• IUPAC Name: 2-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-(oxolan-3-yl)-6-propan-2-ylpyridine;ethane;1-[6-ethyl-3-(oxolan-3-yl)-2-pyridinyl]-N-(fluoromethyl)-N-methylmethanamine;3-fluoroprop-1-ene;2-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-6-propan-2-ylpyridine;oxolane
• SMILES: C1CCOC1.C=CCF.CC.CC(C)c1ccc(C2CCOC2)c(CN2CCC(F)(F)C2)n1.CCc1ccc(C2CCOC2)c(CN(C)CF)n1.CO[C@@H]1CCN(Cc2cccc(C(C)C)n2)C1
• InChI: InChI=1S/C17H24F2N2O.C14H21FN2O.C14H22N2O.C4H8O.C3H5F.C2H6/c1-12(2)15-4-3-14(13-5-8-22-10-13)16(20-15)9-21-7-6-17(18,19)11-21;1-3-12-4-5-13(11-6-7-18-9-11)14(16-12)8-17(2)10-15;1-11(2)14-6-4-5-12(15-14)9-16-8-7-13(10-16)17-3;1-2-4-5-3-1;1-2-3-4;1-2/h3-4,12-13H,5-11H2,1-2H3;4-5,11H,3,6-10H2,1-2H3;4-6,11,13H,7-10H2,1-3H3;1-4H2;2H,1,3H2;1-2H3/t;;13-;;;/m..1.../s1
• InChIKey: CCCNCMLIJYORMC-IEUDWUHUSA-N
• XLogP: 11.45
• TPSA: 85.31 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	959.31
LogP ≤ 5	11.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-(oxolan-3-yl)-6-propan-2-ylpyridine;ethane;1-[6-ethyl-3-(oxolan-3-yl)-2-pyridinyl]-N-(fluoromethyl)-N-methylmethanamine;3-fluoroprop-1-ene;2-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-6-propan-2-ylpyridine;oxolane?

The IUPAC name of 2-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-(oxolan-3-yl)-6-propan-2-ylpyridine;ethane;1-[6-ethyl-3-(oxolan-3-yl)-2-pyridinyl]-N-(fluoromethyl)-N-methylmethanamine;3-fluoroprop-1-ene;2-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-6-propan-2-ylpyridine;oxolane (CID 156652378) is 2-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-(oxolan-3-yl)-6-propan-2-ylpyridine;ethane;1-[6-ethyl-3-(oxolan-3-yl)-2-pyridinyl]-N-(fluoromethyl)-N-methylmethanamine;3-fluoroprop-1-ene;2-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-6-propan-2-ylpyridine;oxolane.

What is the SMILES notation for 2-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-(oxolan-3-yl)-6-propan-2-ylpyridine;ethane;1-[6-ethyl-3-(oxolan-3-yl)-2-pyridinyl]-N-(fluoromethyl)-N-methylmethanamine;3-fluoroprop-1-ene;2-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-6-propan-2-ylpyridine;oxolane?

The canonical SMILES for 2-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-(oxolan-3-yl)-6-propan-2-ylpyridine;ethane;1-[6-ethyl-3-(oxolan-3-yl)-2-pyridinyl]-N-(fluoromethyl)-N-methylmethanamine;3-fluoroprop-1-ene;2-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-6-propan-2-ylpyridine;oxolane is C1CCOC1.C=CCF.CC.CC(C)c1ccc(C2CCOC2)c(CN2CCC(F)(F)C2)n1.CCc1ccc(C2CCOC2)c(CN(C)CF)n1.CO[C@@H]1CCN(Cc2cccc(C(C)C)n2)C1.

What is the InChIKey of 2-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-(oxolan-3-yl)-6-propan-2-ylpyridine;ethane;1-[6-ethyl-3-(oxolan-3-yl)-2-pyridinyl]-N-(fluoromethyl)-N-methylmethanamine;3-fluoroprop-1-ene;2-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-6-propan-2-ylpyridine;oxolane?

The InChIKey is CCCNCMLIJYORMC-IEUDWUHUSA-N. The full InChI is InChI=1S/C17H24F2N2O.C14H21FN2O.C14H22N2O.C4H8O.C3H5F.C2H6/c1-12(2)15-4-3-14(13-5-8-22-10-13)16(20-15)9-21-7-6-17(18,19)11-21;1-3-12-4-5-13(11-6-7-18-9-11)14(16-12)8-17(2)10-15;1-11(2)14-6-4-5-12(15-14)9-16-8-7-13(10-16)17-3;1-2-4-5-3-1;1-2-3-4;1-2/h3-4,12-13H,5-11H2,1-2H3;4-5,11H,3,6-10H2,1-2H3;4-6,11,13H,7-10H2,1-3H3;1-4H2;2H,1,3H2;1-2H3/t;;13-;;;/m..1.../s1.

What are the key properties of 2-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-(oxolan-3-yl)-6-propan-2-ylpyridine;ethane;1-[6-ethyl-3-(oxolan-3-yl)-2-pyridinyl]-N-(fluoromethyl)-N-methylmethanamine;3-fluoroprop-1-ene;2-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-6-propan-2-ylpyridine;oxolane?

2-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-(oxolan-3-yl)-6-propan-2-ylpyridine;ethane;1-[6-ethyl-3-(oxolan-3-yl)-2-pyridinyl]-N-(fluoromethyl)-N-methylmethanamine;3-fluoroprop-1-ene;2-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-6-propan-2-ylpyridine;oxolane has a molecular weight of 959.31 g/mol, XLogP of 11.45, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-(oxolan-3-yl)-6-propan-2-ylpyridine;ethane;1-[6-ethyl-3-(oxolan-3-yl)-2-pyridinyl]-N-(fluoromethyl)-N-methylmethanamine;3-fluoroprop-1-ene;2-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-6-propan-2-ylpyridine;oxolane is sourced from PubChem (CID 156652378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).