5-acetyl-2,3-dihydroinden-1-one;1-(2-bromo-1,1-difluoro-2,3-dihydroinden-5-yl)ethanone;1,1-difluoro-2,3-dihydroindene-5-carboxylic acid;1-(1,1-difluoro-2,3-dihydroinden-5-yl)ethanone;1,1-difluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,3-dihydroindene-5-carboxamide;1-(1,1-difluoroinden-5-yl)ethanone;1-spiro[1,3-dithiolane-2,1'-2,3-dihydroindene]-5'-ylethanone

C95H88BrF10N3O12S2 — CID 164951554

About 5-acetyl-2,3-dihydroinden-1-one;1-(2-bromo-1,1-difluoro-2,3-dihydroinden-5-yl)ethanone;1,1-difluoro-2,3-dihydroindene-5-carboxylic acid;1-(1,1-difluoro-2,3-dihydroinden-5-yl)ethanone;1,1-difluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,3-dihydroindene-5-carboxamide;1-(1,1-difluoroinden-5-yl)ethanone;1-spiro[1,3-dithiolane-2,1'-2,3-dihydroindene]-5'-ylethanone

5-acetyl-2,3-dihydroinden-1-one;1-(2-bromo-1,1-difluoro-2,3-dihydroinden-5-yl)ethanone;1,1-difluoro-2,3-dihydroindene-5-carboxylic acid;1-(1,1-difluoro-2,3-dihydroinden-5-yl)ethanone;1,1-difluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,3-dihydroindene-5-carboxamide;1-(1,1-difluoroinden-5-yl)ethanone;1-spiro[1,3-dithiolane-2,1'-2,3-dihydroindene]-5'-ylethanone (PubChem CID 164951554) has the molecular formula C95H88BrF10N3O12S2 and a molecular weight of 1797.78 g/mol. Its IUPAC name is 5-acetyl-2,3-dihydroinden-1-one;1-(2-bromo-1,1-difluoro-2,3-dihydroinden-5-yl)ethanone;1,1-difluoro-2,3-dihydroindene-5-carboxylic acid;1-(1,1-difluoro-2,3-dihydroinden-5-yl)ethanone;1,1-difluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,3-dihydroindene-5-carboxamide;1-(1,1-difluoroinden-5-yl)ethanone;1-spiro[1,3-dithiolane-2,1'-2,3-dihydroindene]-5'-ylethanone.

Molecular Properties

• Compound Name: 5-acetyl-2,3-dihydroinden-1-one;1-(2-bromo-1,1-difluoro-2,3-dihydroinden-5-yl)ethanone;1,1-difluoro-2,3-dihydroindene-5-carboxylic acid;1-(1,1-difluoro-2,3-dihydroinden-5-yl)ethanone;1,1-difluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,3-dihydroindene-5-carboxamide;1-(1,1-difluoroinden-5-yl)ethanone;1-spiro[1,3-dithiolane-2,1'-2,3-dihydroindene]-5'-ylethanone
• PubChem CID: 164951554
• Molecular Formula: C95H88BrF10N3O12S2
• Molecular Weight: 1797.78 g/mol
• Exact Mass: 1795.48
• IUPAC Name: 5-acetyl-2,3-dihydroinden-1-one;1-(2-bromo-1,1-difluoro-2,3-dihydroinden-5-yl)ethanone;1,1-difluoro-2,3-dihydroindene-5-carboxylic acid;1-(1,1-difluoro-2,3-dihydroinden-5-yl)ethanone;1,1-difluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,3-dihydroindene-5-carboxamide;1-(1,1-difluoroinden-5-yl)ethanone;1-spiro[1,3-dithiolane-2,1'-2,3-dihydroindene]-5'-ylethanone
• SMILES: CC(=O)c1ccc2c(c1)C=CC2(F)F.CC(=O)c1ccc2c(c1)CC(Br)C2(F)F.CC(=O)c1ccc2c(c1)CCC2(F)F.CC(=O)c1ccc2c(c1)CCC21SCCS1.CC(=O)c1ccc2c(c1)CCC2=O.Cc1ccc(NC(=O)c2ccc3c(c2)CCC3(F)F)cc1-c1cc(OCCO)nc(N2CCOCC2)c1.O=C(O)c1ccc2c(c1)CCC2(F)F
• InChI: InChI=1S/C28H29F2N3O4.C13H14OS2.C11H9BrF2O.C11H10F2O.C11H8F2O.C11H10O2.C10H8F2O2/c1-18-2-4-22(31-27(35)20-3-5-24-19(14-20)6-7-28(24,29)30)17-23(18)21-15-25(33-8-11-36-12-9-33)32-26(16-21)37-13-10-34;1-9(14)10-2-3-12-11(8-10)4-5-13(12)15-6-7-16-13;1-6(15)7-2-3-9-8(4-7)5-10(12)11(9,13)14;2*1-7(14)8-2-3-10-9(6-8)4-5-11(10,12)13;1-7(12)8-2-4-10-9(6-8)3-5-11(10)13;11-10(12)4-3-6-5-7(9(13)14)1-2-8(6)10/h2-5,14-17,34H,6-13H2,1H3,(H,31,35);2-3,8H,4-7H2,1H3;2-4,10H,5H2,1H3;2-3,6H,4-5H2,1H3;2-6H,1H3;2,4,6H,3,5H2,1H3;1-2,5H,3-4H2,(H,13,14)
• InChIKey: APGRPUNJNGRZSE-UHFFFAOYSA-N
• XLogP: 21.70
• TPSA: 223.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1797.78
LogP ≤ 5	21.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2,3-dihydroinden-1-one;1-(2-bromo-1,1-difluoro-2,3-dihydroinden-5-yl)ethanone;1,1-difluoro-2,3-dihydroindene-5-carboxylic acid;1-(1,1-difluoro-2,3-dihydroinden-5-yl)ethanone;1,1-difluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,3-dihydroindene-5-carboxamide;1-(1,1-difluoroinden-5-yl)ethanone;1-spiro[1,3-dithiolane-2,1'-2,3-dihydroindene]-5'-ylethanone?

The IUPAC name of 5-acetyl-2,3-dihydroinden-1-one;1-(2-bromo-1,1-difluoro-2,3-dihydroinden-5-yl)ethanone;1,1-difluoro-2,3-dihydroindene-5-carboxylic acid;1-(1,1-difluoro-2,3-dihydroinden-5-yl)ethanone;1,1-difluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,3-dihydroindene-5-carboxamide;1-(1,1-difluoroinden-5-yl)ethanone;1-spiro[1,3-dithiolane-2,1'-2,3-dihydroindene]-5'-ylethanone (CID 164951554) is 5-acetyl-2,3-dihydroinden-1-one;1-(2-bromo-1,1-difluoro-2,3-dihydroinden-5-yl)ethanone;1,1-difluoro-2,3-dihydroindene-5-carboxylic acid;1-(1,1-difluoro-2,3-dihydroinden-5-yl)ethanone;1,1-difluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,3-dihydroindene-5-carboxamide;1-(1,1-difluoroinden-5-yl)ethanone;1-spiro[1,3-dithiolane-2,1'-2,3-dihydroindene]-5'-ylethanone.

What is the SMILES notation for 5-acetyl-2,3-dihydroinden-1-one;1-(2-bromo-1,1-difluoro-2,3-dihydroinden-5-yl)ethanone;1,1-difluoro-2,3-dihydroindene-5-carboxylic acid;1-(1,1-difluoro-2,3-dihydroinden-5-yl)ethanone;1,1-difluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,3-dihydroindene-5-carboxamide;1-(1,1-difluoroinden-5-yl)ethanone;1-spiro[1,3-dithiolane-2,1'-2,3-dihydroindene]-5'-ylethanone?

The canonical SMILES for 5-acetyl-2,3-dihydroinden-1-one;1-(2-bromo-1,1-difluoro-2,3-dihydroinden-5-yl)ethanone;1,1-difluoro-2,3-dihydroindene-5-carboxylic acid;1-(1,1-difluoro-2,3-dihydroinden-5-yl)ethanone;1,1-difluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,3-dihydroindene-5-carboxamide;1-(1,1-difluoroinden-5-yl)ethanone;1-spiro[1,3-dithiolane-2,1'-2,3-dihydroindene]-5'-ylethanone is CC(=O)c1ccc2c(c1)C=CC2(F)F.CC(=O)c1ccc2c(c1)CC(Br)C2(F)F.CC(=O)c1ccc2c(c1)CCC2(F)F.CC(=O)c1ccc2c(c1)CCC21SCCS1.CC(=O)c1ccc2c(c1)CCC2=O.Cc1ccc(NC(=O)c2ccc3c(c2)CCC3(F)F)cc1-c1cc(OCCO)nc(N2CCOCC2)c1.O=C(O)c1ccc2c(c1)CCC2(F)F.

What is the InChIKey of 5-acetyl-2,3-dihydroinden-1-one;1-(2-bromo-1,1-difluoro-2,3-dihydroinden-5-yl)ethanone;1,1-difluoro-2,3-dihydroindene-5-carboxylic acid;1-(1,1-difluoro-2,3-dihydroinden-5-yl)ethanone;1,1-difluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,3-dihydroindene-5-carboxamide;1-(1,1-difluoroinden-5-yl)ethanone;1-spiro[1,3-dithiolane-2,1'-2,3-dihydroindene]-5'-ylethanone?

The InChIKey is APGRPUNJNGRZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F2N3O4.C13H14OS2.C11H9BrF2O.C11H10F2O.C11H8F2O.C11H10O2.C10H8F2O2/c1-18-2-4-22(31-27(35)20-3-5-24-19(14-20)6-7-28(24,29)30)17-23(18)21-15-25(33-8-11-36-12-9-33)32-26(16-21)37-13-10-34;1-9(14)10-2-3-12-11(8-10)4-5-13(12)15-6-7-16-13;1-6(15)7-2-3-9-8(4-7)5-10(12)11(9,13)14;2*1-7(14)8-2-3-10-9(6-8)4-5-11(10,12)13;1-7(12)8-2-4-10-9(6-8)3-5-11(10)13;11-10(12)4-3-6-5-7(9(13)14)1-2-8(6)10/h2-5,14-17,34H,6-13H2,1H3,(H,31,35);2-3,8H,4-7H2,1H3;2-4,10H,5H2,1H3;2-3,6H,4-5H2,1H3;2-6H,1H3;2,4,6H,3,5H2,1H3;1-2,5H,3-4H2,(H,13,14).

What are the key properties of 5-acetyl-2,3-dihydroinden-1-one;1-(2-bromo-1,1-difluoro-2,3-dihydroinden-5-yl)ethanone;1,1-difluoro-2,3-dihydroindene-5-carboxylic acid;1-(1,1-difluoro-2,3-dihydroinden-5-yl)ethanone;1,1-difluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,3-dihydroindene-5-carboxamide;1-(1,1-difluoroinden-5-yl)ethanone;1-spiro[1,3-dithiolane-2,1'-2,3-dihydroindene]-5'-ylethanone?

5-acetyl-2,3-dihydroinden-1-one;1-(2-bromo-1,1-difluoro-2,3-dihydroinden-5-yl)ethanone;1,1-difluoro-2,3-dihydroindene-5-carboxylic acid;1-(1,1-difluoro-2,3-dihydroinden-5-yl)ethanone;1,1-difluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,3-dihydroindene-5-carboxamide;1-(1,1-difluoroinden-5-yl)ethanone;1-spiro[1,3-dithiolane-2,1'-2,3-dihydroindene]-5'-ylethanone has a molecular weight of 1797.78 g/mol, XLogP of 21.70, 13 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-acetyl-2,3-dihydroinden-1-one;1-(2-bromo-1,1-difluoro-2,3-dihydroinden-5-yl)ethanone;1,1-difluoro-2,3-dihydroindene-5-carboxylic acid;1-(1,1-difluoro-2,3-dihydroinden-5-yl)ethanone;1,1-difluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,3-dihydroindene-5-carboxamide;1-(1,1-difluoroinden-5-yl)ethanone;1-spiro[1,3-dithiolane-2,1'-2,3-dihydroindene]-5'-ylethanone is sourced from PubChem (CID 164951554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).