9,11-difluoro-2,3,8,10-tetramethyl-2,4,4a,5,6,12c-hexahydro-1H-benzo[a][3,8]phenanthrolin-7-one

C20H24F2N2O — CID 167633430

About 9,11-difluoro-2,3,8,10-tetramethyl-2,4,4a,5,6,12c-hexahydro-1H-benzo[a][3,8]phenanthrolin-7-one

9,11-difluoro-2,3,8,10-tetramethyl-2,4,4a,5,6,12c-hexahydro-1H-benzo[a][3,8]phenanthrolin-7-one (PubChem CID 167633430) has the molecular formula C20H24F2N2O and a molecular weight of 346.42 g/mol. Its IUPAC name is 9,11-difluoro-2,3,8,10-tetramethyl-2,4,4a,5,6,12c-hexahydro-1H-benzo[a][3,8]phenanthrolin-7-one.

Molecular Properties

• Compound Name: 9,11-difluoro-2,3,8,10-tetramethyl-2,4,4a,5,6,12c-hexahydro-1H-benzo[a][3,8]phenanthrolin-7-one
• PubChem CID: 167633430
• Molecular Formula: C20H24F2N2O
• Molecular Weight: 346.42 g/mol
• Exact Mass: 346.19
• IUPAC Name: 9,11-difluoro-2,3,8,10-tetramethyl-2,4,4a,5,6,12c-hexahydro-1H-benzo[a][3,8]phenanthrolin-7-one
• SMILES: Cc1c(F)cc2c3c(c(=O)n(C)c2c1F)CCC1CN(C)C(C)CC31
• InChI: InChI=1S/C20H24F2N2O/c1-10-7-14-12(9-23(10)3)5-6-13-17(14)15-8-16(21)11(2)18(22)19(15)24(4)20(13)25/h8,10,12,14H,5-7,9H2,1-4H3
• InChIKey: LEOXTSTZIMSPPY-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 25.24 Ų
• H-Bond Acceptors: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.42
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9,11-difluoro-2,3,8,10-tetramethyl-2,4,4a,5,6,12c-hexahydro-1H-benzo[a][3,8]phenanthrolin-7-one?

The IUPAC name of 9,11-difluoro-2,3,8,10-tetramethyl-2,4,4a,5,6,12c-hexahydro-1H-benzo[a][3,8]phenanthrolin-7-one (CID 167633430) is 9,11-difluoro-2,3,8,10-tetramethyl-2,4,4a,5,6,12c-hexahydro-1H-benzo[a][3,8]phenanthrolin-7-one.

What is the SMILES notation for 9,11-difluoro-2,3,8,10-tetramethyl-2,4,4a,5,6,12c-hexahydro-1H-benzo[a][3,8]phenanthrolin-7-one?

The canonical SMILES for 9,11-difluoro-2,3,8,10-tetramethyl-2,4,4a,5,6,12c-hexahydro-1H-benzo[a][3,8]phenanthrolin-7-one is Cc1c(F)cc2c3c(c(=O)n(C)c2c1F)CCC1CN(C)C(C)CC31.

What is the InChIKey of 9,11-difluoro-2,3,8,10-tetramethyl-2,4,4a,5,6,12c-hexahydro-1H-benzo[a][3,8]phenanthrolin-7-one?

The InChIKey is LEOXTSTZIMSPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O/c1-10-7-14-12(9-23(10)3)5-6-13-17(14)15-8-16(21)11(2)18(22)19(15)24(4)20(13)25/h8,10,12,14H,5-7,9H2,1-4H3.

What are the key properties of 9,11-difluoro-2,3,8,10-tetramethyl-2,4,4a,5,6,12c-hexahydro-1H-benzo[a][3,8]phenanthrolin-7-one?

9,11-difluoro-2,3,8,10-tetramethyl-2,4,4a,5,6,12c-hexahydro-1H-benzo[a][3,8]phenanthrolin-7-one has a molecular weight of 346.42 g/mol, XLogP of 3.50, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9,11-difluoro-2,3,8,10-tetramethyl-2,4,4a,5,6,12c-hexahydro-1H-benzo[a][3,8]phenanthrolin-7-one is sourced from PubChem (CID 167633430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).