3-[[6-fluoro-1,1-dimethyl-3-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-5-yl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine

C28H27F4NO — CID 144962371

About 3-[[6-fluoro-1,1-dimethyl-3-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-5-yl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine

3-[[6-fluoro-1,1-dimethyl-3-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-5-yl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine (PubChem CID 144962371) has the molecular formula C28H27F4NO and a molecular weight of 469.52 g/mol. Its IUPAC name is 3-[[6-fluoro-1,1-dimethyl-3-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-5-yl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine.

Molecular Properties

• Compound Name: 3-[[6-fluoro-1,1-dimethyl-3-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-5-yl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine
• PubChem CID: 144962371
• Molecular Formula: C28H27F4NO
• Molecular Weight: 469.52 g/mol
• Exact Mass: 469.20
• IUPAC Name: 3-[[6-fluoro-1,1-dimethyl-3-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-5-yl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine
• SMILES: CC1Cc2cnc(OCc3cc4c(cc3F)C(C)(C)CC4c3ccccc3C(F)(F)F)cc2C1
• InChI: InChI=1S/C28H27F4NO/c1-16-8-17-11-26(33-14-18(17)9-16)34-15-19-10-21-22(13-27(2,3)24(21)12-25(19)29)20-6-4-5-7-23(20)28(30,31)32/h4-7,10-12,14,16,22H,8-9,13,15H2,1-3H3
• InChIKey: OZFXEFKBNVVSLM-UHFFFAOYSA-N
• XLogP: 7.37
• TPSA: 22.12 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.52
LogP ≤ 5	7.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-[[6-fluoro-1,1-dimethyl-3-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-5-yl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine?

The IUPAC name of 3-[[6-fluoro-1,1-dimethyl-3-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-5-yl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine (CID 144962371) is 3-[[6-fluoro-1,1-dimethyl-3-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-5-yl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine.

What is the SMILES notation for 3-[[6-fluoro-1,1-dimethyl-3-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-5-yl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine?

The canonical SMILES for 3-[[6-fluoro-1,1-dimethyl-3-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-5-yl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine is CC1Cc2cnc(OCc3cc4c(cc3F)C(C)(C)CC4c3ccccc3C(F)(F)F)cc2C1.

What is the InChIKey of 3-[[6-fluoro-1,1-dimethyl-3-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-5-yl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine?

The InChIKey is OZFXEFKBNVVSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F4NO/c1-16-8-17-11-26(33-14-18(17)9-16)34-15-19-10-21-22(13-27(2,3)24(21)12-25(19)29)20-6-4-5-7-23(20)28(30,31)32/h4-7,10-12,14,16,22H,8-9,13,15H2,1-3H3.

What are the key properties of 3-[[6-fluoro-1,1-dimethyl-3-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-5-yl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine?

3-[[6-fluoro-1,1-dimethyl-3-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-5-yl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine has a molecular weight of 469.52 g/mol, XLogP of 7.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[6-fluoro-1,1-dimethyl-3-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-5-yl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine is sourced from PubChem (CID 144962371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).