ethyl 2-[2-[(2S,3S)-3-[2-[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]ethoxy]butan-2-yl]oxyethoxy]acetate

C35H46F3NO6 — CID 147813656

About ethyl 2-[2-[(2S,3S)-3-[2-[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]ethoxy]butan-2-yl]oxyethoxy]acetate

ethyl 2-[2-[(2S,3S)-3-[2-[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]ethoxy]butan-2-yl]oxyethoxy]acetate (PubChem CID 147813656) has the molecular formula C35H46F3NO6 and a molecular weight of 633.75 g/mol. Its IUPAC name is ethyl 2-[2-[(2S,3S)-3-[2-[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]ethoxy]butan-2-yl]oxyethoxy]acetate.

Molecular Properties

• Compound Name: ethyl 2-[2-[(2S,3S)-3-[2-[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]ethoxy]butan-2-yl]oxyethoxy]acetate
• PubChem CID: 147813656
• Molecular Formula: C35H46F3NO6
• Molecular Weight: 633.75 g/mol
• Exact Mass: 633.33
• IUPAC Name: ethyl 2-[2-[(2S,3S)-3-[2-[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]ethoxy]butan-2-yl]oxyethoxy]acetate
• SMILES: CCOC(=O)COCCO[C@@H](C)[C@H](C)OCCOc1cc(F)c([C@@H]2C3=C(C[C@@H](C)N2CC(C)(C)F)c2ccccc2C3)c(F)c1
• InChI: InChI=1S/C35H46F3NO6/c1-7-42-32(40)20-41-12-13-43-23(3)24(4)44-14-15-45-26-18-30(36)33(31(37)19-26)34-29-17-25-10-8-9-11-27(25)28(29)16-22(2)39(34)21-35(5,6)38/h8-11,18-19,22-24,34H,7,12-17,20-21H2,1-6H3/t22-,23+,24+,34+/m1/s1
• InChIKey: HNWHFVNYPHTXDR-ZFGOKZCISA-N
• XLogP: 6.63
• TPSA: 66.46 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 16
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	633.75
LogP ≤ 5	6.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(2S,3S)-3-[2-[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]ethoxy]butan-2-yl]oxyethoxy]acetate?

The IUPAC name of ethyl 2-[2-[(2S,3S)-3-[2-[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]ethoxy]butan-2-yl]oxyethoxy]acetate (CID 147813656) is ethyl 2-[2-[(2S,3S)-3-[2-[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]ethoxy]butan-2-yl]oxyethoxy]acetate.

What is the SMILES notation for ethyl 2-[2-[(2S,3S)-3-[2-[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]ethoxy]butan-2-yl]oxyethoxy]acetate?

The canonical SMILES for ethyl 2-[2-[(2S,3S)-3-[2-[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]ethoxy]butan-2-yl]oxyethoxy]acetate is CCOC(=O)COCCO[C@@H](C)[C@H](C)OCCOc1cc(F)c([C@@H]2C3=C(C[C@@H](C)N2CC(C)(C)F)c2ccccc2C3)c(F)c1.

What is the InChIKey of ethyl 2-[2-[(2S,3S)-3-[2-[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]ethoxy]butan-2-yl]oxyethoxy]acetate?

The InChIKey is HNWHFVNYPHTXDR-ZFGOKZCISA-N. The full InChI is InChI=1S/C35H46F3NO6/c1-7-42-32(40)20-41-12-13-43-23(3)24(4)44-14-15-45-26-18-30(36)33(31(37)19-26)34-29-17-25-10-8-9-11-27(25)28(29)16-22(2)39(34)21-35(5,6)38/h8-11,18-19,22-24,34H,7,12-17,20-21H2,1-6H3/t22-,23+,24+,34+/m1/s1.

What are the key properties of ethyl 2-[2-[(2S,3S)-3-[2-[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]ethoxy]butan-2-yl]oxyethoxy]acetate?

ethyl 2-[2-[(2S,3S)-3-[2-[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]ethoxy]butan-2-yl]oxyethoxy]acetate has a molecular weight of 633.75 g/mol, XLogP of 6.63, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[2-[(2S,3S)-3-[2-[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]ethoxy]butan-2-yl]oxyethoxy]acetate is sourced from PubChem (CID 147813656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).