2,2-difluoro-N-methyl-N-[[3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2,2-difluoro-N-methyl-N-[[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;N-methyl-N-[[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]oxetan-3-amine;N-methyl-N-[[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]methyl]oxetan-3-amine;3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-(4,4,4-trifluorobutyl)pyridine;3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-(4,4,4-trifluorobutyl)pyridine;3-(oxolan-3-yl)-6-propan-2-yl-2-(4,4,4-trifluorobutyl)pyridine

C114H166F13N11O9 — CID 159333980

About 2,2-difluoro-N-methyl-N-[[3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2,2-difluoro-N-methyl-N-[[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;N-methyl-N-[[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]oxetan-3-amine;N-methyl-N-[[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]methyl]oxetan-3-amine;3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-(4,4,4-trifluorobutyl)pyridine;3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-(4,4,4-trifluorobutyl)pyridine;3-(oxolan-3-yl)-6-propan-2-yl-2-(4,4,4-trifluorobutyl)pyridine

2,2-difluoro-N-methyl-N-[[3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2,2-difluoro-N-methyl-N-[[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;N-methyl-N-[[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]oxetan-3-amine;N-methyl-N-[[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]methyl]oxetan-3-amine;3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-(4,4,4-trifluorobutyl)pyridine;3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-(4,4,4-trifluorobutyl)pyridine;3-(oxolan-3-yl)-6-propan-2-yl-2-(4,4,4-trifluorobutyl)pyridine (PubChem CID 159333980) has the molecular formula C114H166F13N11O9 and a molecular weight of 2081.62 g/mol. Its IUPAC name is 2,2-difluoro-N-methyl-N-[[3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2,2-difluoro-N-methyl-N-[[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;N-methyl-N-[[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]oxetan-3-amine;N-methyl-N-[[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]methyl]oxetan-3-amine;3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-(4,4,4-trifluorobutyl)pyridine;3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-(4,4,4-trifluorobutyl)pyridine;3-(oxolan-3-yl)-6-propan-2-yl-2-(4,4,4-trifluorobutyl)pyridine.

Molecular Properties

• Compound Name: 2,2-difluoro-N-methyl-N-[[3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2,2-difluoro-N-methyl-N-[[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;N-methyl-N-[[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]oxetan-3-amine;N-methyl-N-[[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]methyl]oxetan-3-amine;3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-(4,4,4-trifluorobutyl)pyridine;3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-(4,4,4-trifluorobutyl)pyridine;3-(oxolan-3-yl)-6-propan-2-yl-2-(4,4,4-trifluorobutyl)pyridine
• PubChem CID: 159333980
• Molecular Formula: C114H166F13N11O9
• Molecular Weight: 2081.62 g/mol
• Exact Mass: 2080.27
• IUPAC Name: 2,2-difluoro-N-methyl-N-[[3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2,2-difluoro-N-methyl-N-[[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;N-methyl-N-[[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]oxetan-3-amine;N-methyl-N-[[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]methyl]oxetan-3-amine;3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-(4,4,4-trifluorobutyl)pyridine;3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-(4,4,4-trifluorobutyl)pyridine;3-(oxolan-3-yl)-6-propan-2-yl-2-(4,4,4-trifluorobutyl)pyridine
• SMILES: CC(C)c1ccc(C2CCOC2)c(CCCC(F)(F)F)n1.CC(C)c1ccc(C2CCOC2)c(CN(C)C2COC2)n1.CC(C)c1ccc([C@@H]2CCOC2)c(CCCC(F)(F)F)n1.CC(C)c1ccc([C@@H]2CCOC2)c(CN(C)C2COC2)n1.CC(C)c1ccc([C@@H]2CCOC2)c(CN(C)CC(F)F)n1.CC(C)c1ccc([C@H]2CCOC2)c(CCCC(F)(F)F)n1.CC(C)c1ccc([C@H]2CCOC2)c(CN(C)CC(F)F)n1
• InChI: InChI=1S/2C17H26N2O2.3C16H22F3NO.2C16H24F2N2O/c2*1-12(2)16-5-4-15(13-6-7-20-9-13)17(18-16)8-19(3)14-10-21-11-14;3*1-11(2)14-6-5-13(12-7-9-21-10-12)15(20-14)4-3-8-16(17,18)19;2*1-11(2)14-5-4-13(12-6-7-21-10-12)15(19-14)8-20(3)9-16(17)18/h2*4-5,12-14H,6-11H2,1-3H3;3*5-6,11-12H,3-4,7-10H2,1-2H3;2*4-5,11-12,16H,6-10H2,1-3H3/t13-;;2*12-;;2*12-/m1.10.10/s1
• InChIKey: LFHIMPAXWHHKNM-CZIGLJTASA-N
• XLogP: 25.67
• TPSA: 186.26 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 37
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2081.62
LogP ≤ 5	25.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-methyl-N-[[3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2,2-difluoro-N-methyl-N-[[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;N-methyl-N-[[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]oxetan-3-amine;N-methyl-N-[[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]methyl]oxetan-3-amine;3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-(4,4,4-trifluorobutyl)pyridine;3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-(4,4,4-trifluorobutyl)pyridine;3-(oxolan-3-yl)-6-propan-2-yl-2-(4,4,4-trifluorobutyl)pyridine?

The IUPAC name of 2,2-difluoro-N-methyl-N-[[3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2,2-difluoro-N-methyl-N-[[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;N-methyl-N-[[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]oxetan-3-amine;N-methyl-N-[[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]methyl]oxetan-3-amine;3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-(4,4,4-trifluorobutyl)pyridine;3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-(4,4,4-trifluorobutyl)pyridine;3-(oxolan-3-yl)-6-propan-2-yl-2-(4,4,4-trifluorobutyl)pyridine (CID 159333980) is 2,2-difluoro-N-methyl-N-[[3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2,2-difluoro-N-methyl-N-[[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;N-methyl-N-[[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]oxetan-3-amine;N-methyl-N-[[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]methyl]oxetan-3-amine;3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-(4,4,4-trifluorobutyl)pyridine;3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-(4,4,4-trifluorobutyl)pyridine;3-(oxolan-3-yl)-6-propan-2-yl-2-(4,4,4-trifluorobutyl)pyridine.

What is the SMILES notation for 2,2-difluoro-N-methyl-N-[[3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2,2-difluoro-N-methyl-N-[[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;N-methyl-N-[[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]oxetan-3-amine;N-methyl-N-[[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]methyl]oxetan-3-amine;3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-(4,4,4-trifluorobutyl)pyridine;3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-(4,4,4-trifluorobutyl)pyridine;3-(oxolan-3-yl)-6-propan-2-yl-2-(4,4,4-trifluorobutyl)pyridine?

The canonical SMILES for 2,2-difluoro-N-methyl-N-[[3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2,2-difluoro-N-methyl-N-[[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;N-methyl-N-[[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]oxetan-3-amine;N-methyl-N-[[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]methyl]oxetan-3-amine;3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-(4,4,4-trifluorobutyl)pyridine;3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-(4,4,4-trifluorobutyl)pyridine;3-(oxolan-3-yl)-6-propan-2-yl-2-(4,4,4-trifluorobutyl)pyridine is CC(C)c1ccc(C2CCOC2)c(CCCC(F)(F)F)n1.CC(C)c1ccc(C2CCOC2)c(CN(C)C2COC2)n1.CC(C)c1ccc([C@@H]2CCOC2)c(CCCC(F)(F)F)n1.CC(C)c1ccc([C@@H]2CCOC2)c(CN(C)C2COC2)n1.CC(C)c1ccc([C@@H]2CCOC2)c(CN(C)CC(F)F)n1.CC(C)c1ccc([C@H]2CCOC2)c(CCCC(F)(F)F)n1.CC(C)c1ccc([C@H]2CCOC2)c(CN(C)CC(F)F)n1.

What is the InChIKey of 2,2-difluoro-N-methyl-N-[[3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2,2-difluoro-N-methyl-N-[[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;N-methyl-N-[[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]oxetan-3-amine;N-methyl-N-[[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]methyl]oxetan-3-amine;3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-(4,4,4-trifluorobutyl)pyridine;3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-(4,4,4-trifluorobutyl)pyridine;3-(oxolan-3-yl)-6-propan-2-yl-2-(4,4,4-trifluorobutyl)pyridine?

The InChIKey is LFHIMPAXWHHKNM-CZIGLJTASA-N. The full InChI is InChI=1S/2C17H26N2O2.3C16H22F3NO.2C16H24F2N2O/c2*1-12(2)16-5-4-15(13-6-7-20-9-13)17(18-16)8-19(3)14-10-21-11-14;3*1-11(2)14-6-5-13(12-7-9-21-10-12)15(20-14)4-3-8-16(17,18)19;2*1-11(2)14-5-4-13(12-6-7-21-10-12)15(19-14)8-20(3)9-16(17)18/h2*4-5,12-14H,6-11H2,1-3H3;3*5-6,11-12H,3-4,7-10H2,1-2H3;2*4-5,11-12,16H,6-10H2,1-3H3/t13-;;2*12-;;2*12-/m1.10.10/s1.

What are the key properties of 2,2-difluoro-N-methyl-N-[[3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2,2-difluoro-N-methyl-N-[[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;N-methyl-N-[[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]oxetan-3-amine;N-methyl-N-[[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]methyl]oxetan-3-amine;3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-(4,4,4-trifluorobutyl)pyridine;3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-(4,4,4-trifluorobutyl)pyridine;3-(oxolan-3-yl)-6-propan-2-yl-2-(4,4,4-trifluorobutyl)pyridine?

2,2-difluoro-N-methyl-N-[[3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2,2-difluoro-N-methyl-N-[[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;N-methyl-N-[[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]oxetan-3-amine;N-methyl-N-[[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]methyl]oxetan-3-amine;3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-(4,4,4-trifluorobutyl)pyridine;3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-(4,4,4-trifluorobutyl)pyridine;3-(oxolan-3-yl)-6-propan-2-yl-2-(4,4,4-trifluorobutyl)pyridine has a molecular weight of 2081.62 g/mol, XLogP of 25.67, 37 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-difluoro-N-methyl-N-[[3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;2,2-difluoro-N-methyl-N-[[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]ethanamine;N-methyl-N-[[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]methyl]oxetan-3-amine;N-methyl-N-[[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]methyl]oxetan-3-amine;3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-(4,4,4-trifluorobutyl)pyridine;3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-(4,4,4-trifluorobutyl)pyridine;3-(oxolan-3-yl)-6-propan-2-yl-2-(4,4,4-trifluorobutyl)pyridine is sourced from PubChem (CID 159333980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).